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

Systemtic Name: methyl 4-[[4-chloranyl-3-(cyclohexylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[4-chloro-3-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C23H24ClN3O4S MolecularWeight: 473.97236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN3O4S/c1-31-22(30)15-9-7-14(8-10-15)20(28)27-23(32)26-17-11-12-19(24)18(13-17)21(29)25-16-5-3-2-4-6-16/h7-13,16H,2-6H2,1H3,(H,25,29)(H2,26,27,28,32)