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

Systemtic Name: phenethyl 4-[[4-chloranyl-3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-chloro-3-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C26H30ClN3O4S MolecularWeight: 516.0521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30ClN3O4S/c27-22-12-11-20(17-21(22)25(33)28-19-9-5-2-6-10-19)29-26(35)30-23(31)13-14-24(32)34-16-15-18-7-3-1-4-8-18/h1,3-4,7-8,11-12,17,19H,2,5-6,9-10,13-16H2,(H,28,33)(H2,29,30,31,35)