phenethyl 4-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-(cyclohexylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C26H31N3O4S/c30-23(14-15-24(31)33-17-16-19-8-3-1-4-9-19)29-26(34)28-22-13-7-10-20(18-22)25(32)27-21-11-5-2-6-12-21/h1,3-4,7-10,13,18,21H,2,5-6,11-12,14-17H2,(H,27,32)(H2,28,29,30,34)