methyl 3-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[4-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[4-(cyclohexylcarbamoyl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NC3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NC3CCCCC3

InChI

InChI=1S/C23H25N3O4S/c1-30-22(29)17-7-5-6-16(14-17)21(28)26-23(31)25-19-12-10-15(11-13-19)20(27)24-18-8-3-2-4-9-18/h5-7,10-14,18H,2-4,8-9H2,1H3,(H,24,27)(H2,25,26,28,31)