methyl 4-[[[cyclohexyl(methoxycarbonyl)carbamothioyl]-methyl-amino]-phenyl-carbamoyl]benzoate

Systemtic Name: methyl 4-[[[cyclohexyl(methoxycarbonyl)carbamothioyl]-methyl-amino]-phenyl-carbamoyl]benzoate Openeye Name: methyl 4-[[[cyclohexyl(methoxycarbonyl)carbamothioyl]-methyl-amino]-phenyl-carbamoyl]benzoate CAS Name: 4-[(N-[[[cyclohexyl(methoxycarbonyl)amino]-sulfanylidenemethyl]-methylamino]anilino)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[cyclohexyl(methoxycarbonyl)carbamothioyl]-methylamino]-phenylcarbamoyl]benzoate Traditional Name: 4-[[[carbomethoxy(cyclohexyl)thiocarbamoyl]-methyl-amino]-phenyl-carbamoyl]benzoic acid methyl ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O5S/c1-26(24(34)27(25(31)33-3)20-10-6-4-7-11-20)28(21-12-8-5-9-13-21)22(29)18-14-16-19(17-15-18)23(30)32-2/h5,8-9,12-17,20H,4,6-7,10-11H2,1-3H3