propyl 4-[[2-(4-chlorophenyl)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[2-(4-chlorophenyl)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(4-chlorophenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(4-chlorophenyl)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C16H20ClN3O4S MolecularWeight: 385.8657

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)CC1=CC=C(C=C1)Cl

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)CC1=CC=C(C=C1)Cl

InChI

InChI=1S/C16H20ClN3O4S/c1-2-9-24-15(23)8-7-13(21)18-16(25)20-19-14(22)10-11-3-5-12(17)6-4-11/h3-6H,2,7-10H2,1H3,(H,19,22)(H2,18,20,21,25)