methyl 4-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[2-[[cyclohexyl(methyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN(C1CCCCC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H27N3O4S/c1-27(18-8-4-3-5-9-18)22(29)19-10-6-7-11-20(19)25-24(32)26-21(28)16-12-14-17(15-13-16)23(30)31-2/h6-7,10-15,18H,3-5,8-9H2,1-2H3,(H2,25,26,28,32)