methyl 3-[(4-nitrophenyl)carbamothioylamino]propanoate

Systemtic Name: methyl 3-[(4-nitrophenyl)carbamothioylamino]propanoate Openeye Name: methyl 3-[(4-nitrophenyl)carbamothioylamino]propanoate CAS Name: 3-[[(4-nitroanilino)-sulfanylidenemethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[(4-nitrophenyl)carbamothioylamino]propanoate Traditional Name: 3-[(4-nitrophenyl)thiocarbamoylamino]propionic acid methyl ester Formula: C11H13N3O4S MolecularWeight: 283.30362

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O4S/c1-18-10(15)6-7-12-11(19)13-8-2-4-9(5-3-8)14(16)17/h2-5H,6-7H2,1H3,(H2,12,13,19)