propyl 4-[(4-chloranyl-3-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[(4-chloranyl-3-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[(4-chloro-3-nitro-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-chloro-3-nitroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[(4-chloro-3-nitrophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-chloro-3-nitro-phenyl)thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C14H16ClN3O5S MolecularWeight: 373.81194

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H16ClN3O5S/c1-2-7-23-13(20)6-5-12(19)17-14(24)16-9-3-4-10(15)11(8-9)18(21)22/h3-4,8H,2,5-7H2,1H3,(H2,16,17,19,24)