21229885
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10.7648
8.0622
11.7817
6.3301
12.2429
5.4641
12.1497
9.7942
10.6603
8.9282
9.7942
11.5738
11.7429
10.6603
8.9282
7.1962
4.5981
13.2375
10.6603
9.7942
2.866
6.3301
4.5981
3.732
3.732
2.866
2
11.5619
9.2573
11.1972
8.3913
6.7976
7.5947
13.1726
13.8541
13.3023
11.1972
9.7942
5.4641
5.135
3.732
3.732
2.3291
2.31
1.4631
1.69
12.0635
11.1975
11.0603
1.282
-1.2125
-1.0974
-0.2125
0.6239
-1.7125
2.4035
-1.2125
0.2875
-1.7125
-0.2125
-0.1192
1.4899
-1.7125
-2.7125
-1.7125
-1.2125
0.5194
-2.7125
-3.2125
-0.2125
-1.2125
-0.2125
-1.7125
0.2875
-1.2125
0.2875
3.2125
0.0975
-1.4025
-3.0225
-2.1874
-2.1874
-0.0972
0.4546
1.136
-3.0225
-3.8325
-2.3325
0.0975
-2.3325
0.9075
-1.5225
0.8244
0.5975
-0.2494
3.5769
3.7141
2.8481
8
8
8
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8
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14
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.396
Cactvs
xemistry.com
2012.02.08
641
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.396
Cactvs
xemistry.com
2012.02.08
5
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.396
Cactvs
xemistry.com
2012.02.08
1
Count
Rotatable Bond
5
E_NROTBONDS
3.396
Cactvs
xemistry.com
2012.02.08
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371E07B3000400000000000000000000000000160000000306000000000000000014000001E04100000000C0CA1D80633C683C00408A802255274028218016122100988004E6CC80E2622C4B99F873828E4D611D8E98790C0200E08000000000800001000000000100000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
2-[2-[(E)-(3-methyl-2-methylimino-4-oxo-thiazolidin-5-ylidene)methyl]phenoxy]-N-(p-tolyl)acetamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
2-[2-[(E)-(3-methyl-2-methylimino-4-oxo-5-thiazolidinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
2-[2-[(E)-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
2-[2-[(E)-(3-methyl-2-methylimino-4-oxidanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-methylphenyl)ethanamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
2-[2-[(E)-(4-keto-3-methyl-2-methylimino-thiazolidin-5-ylidene)methyl]phenoxy]-N-(p-tolyl)acetamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
InChI=1S/C21H21N3O3S/c1-14-8-10-16(11-9-14)23-19(25)13-27-17-7-5-4-6-15(17)12-18-20(26)24(3)21(22-2)28-18/h4-12H,13H2,1-3H3,(H,23,25)/b18-12+,22-21?
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
JZIPSTWSXZWTJW-NLUKZUHQSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.02.08
3.8
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
395.130363
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C21H21N3O3S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
395.47474
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
CC1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2C=C3C(=O)N(C(=NC)S3)C
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
CC1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2/C=C/3\C(=O)N(C(=NC)S3)C
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
96.3
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
395.130363
28
0
0
0
1
1
0
0
1
3