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

Systemtic Name: methyl 4-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[3-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[3-(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=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3CCCCC3

Isomeric SMILES

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

InChI

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