3-[[2-[(4-dimethylaminophenyl)carbonylamino]-1,3-thiazol-5-yl]sulfanyl]-4-methyl-benzoic acid

Systemtic Name: 3-[[2-[(4-dimethylaminophenyl)carbonylamino]-1,3-thiazol-5-yl]sulfanyl]-4-methyl-benzoic acid Openeye Name: 3-[2-[[4-(dimethylamino)benzoyl]amino]thiazol-5-yl]sulfanyl-4-methyl-benzoic acid CAS Name: 3-[[2-[[(4-dimethylaminophenyl)-oxomethyl]amino]-5-thiazolyl]thio]-4-methylbenzoic acid IUPAC Name: 3-[[2-[[4-(dimethylamino)benzoyl]amino]-1,3-thiazol-5-yl]sulfanyl]-4-methylbenzoic acid Traditional Name: 3-[[2-[[4-(dimethylamino)benzoyl]amino]thiazol-5-yl]thio]-4-methyl-benzoic acid Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C20H19N3O3S2/c1-12-4-5-14(19(25)26)10-16(12)27-17-11-21-20(28-17)22-18(24)13-6-8-15(9-7-13)23(2)3/h4-11H,1-3H3,(H,25,26)(H,21,22,24)