phenethyl 4-[[[2-(cyclohexylcarbamoyl)phenyl]-methyl-carbamothioyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[[2-(cyclohexylcarbamoyl)phenyl]-methyl-carbamothioyl]amino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[[2-(cyclohexylcarbamoyl)phenyl]-methyl-carbamothioyl]amino]-4-oxo-butanoate CAS Name: 4-[[[2-[(cyclohexylamino)-oxomethyl]-N-methylanilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[[2-(cyclohexylcarbamoyl)phenyl]-methylcarbamothioyl]amino]-4-oxobutanoate Traditional Name: 4-[[[2-(cyclohexylcarbamoyl)phenyl]-methyl-thiocarbamoyl]amino]-4-keto-butyric acid phenethyl ester Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NC2CCCCC2)C(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NC2CCCCC2)C(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C27H33N3O4S/c1-30(23-15-9-8-14-22(23)26(33)28-21-12-6-3-7-13-21)27(35)29-24(31)16-17-25(32)34-19-18-20-10-4-2-5-11-20/h2,4-5,8-11,14-15,21H,3,6-7,12-13,16-19H2,1H3,(H,28,33)(H,29,31,35)