propan-2-yl 4-[(4-nitrophenyl)carbamothioylamino]butanoate

Systemtic Name: propan-2-yl 4-[(4-nitrophenyl)carbamothioylamino]butanoate Openeye Name: isopropyl 4-[(4-nitrophenyl)carbamothioylamino]butanoate CAS Name: 4-[[(4-nitroanilino)-sulfanylidenemethyl]amino]butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(4-nitrophenyl)carbamothioylamino]butanoate Traditional Name: 4-[(4-nitrophenyl)thiocarbamoylamino]butyric acid isopropyl ester Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCCNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)CCCNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O4S/c1-10(2)21-13(18)4-3-9-15-14(22)16-11-5-7-12(8-6-11)17(19)20/h5-8,10H,3-4,9H2,1-2H3,(H2,15,16,22)