methyl 4-[2-[(4-nitrophenyl)amino]ethylcarbamothioylamino]butanoate

Systemtic Name: methyl 4-[2-[(4-nitrophenyl)amino]ethylcarbamothioylamino]butanoate Openeye Name: methyl 4-[2-(4-nitroanilino)ethylcarbamothioylamino]butanoate CAS Name: 4-[[[2-(4-nitroanilino)ethylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[2-(4-nitroanilino)ethylcarbamothioylamino]butanoate Traditional Name: 4-[2-(4-nitroanilino)ethylthiocarbamoylamino]butyric acid methyl ester Formula: C14H20N4O4S MolecularWeight: 340.398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NCCNC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCNC(=S)NCCNC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H20N4O4S/c1-22-13(19)3-2-8-16-14(23)17-10-9-15-11-4-6-12(7-5-11)18(20)21/h4-7,15H,2-3,8-10H2,1H3,(H2,16,17,23)