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4-[[(3,4-dimethoxyphenyl)methyl-[(2-methylphenyl)carbamothioyl]amino]methyl]benzoic acid
4-[[(3,4-dimethoxyphenyl)methyl-[(2-methylphenyl)carbamothioyl]amino]methyl]benzoic acid
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC=CC=C1NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC(=C(C=C3)OC)OC
Isomeric SMILES
CC1=CC=CC=C1NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C25H26N2O4S/c1-17-6-4-5-7-21(17)26-25(32)27(15-18-8-11-20(12-9-18)24(28)29)16-19-10-13-22(30-2)23(14-19)31-3/h4-14H,15-16H2,1-3H3,(H,26,32)(H,28,29)
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