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

Systemtic Name: propyl 4-[(2-chlorophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[(2-chlorophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2-chloroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[(2-chlorophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2-chlorophenyl)thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C14H17ClN2O3S MolecularWeight: 328.81438

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1Cl

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1Cl

InChI

InChI=1S/C14H17ClN2O3S/c1-2-9-20-13(19)8-7-12(18)17-14(21)16-11-6-4-3-5-10(11)15/h3-6H,2,7-9H2,1H3,(H2,16,17,18,21)