phenethyl 4-[(3-nitrophenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[(3-nitrophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(3-nitrophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-nitroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(3-nitrophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(3-nitrophenyl)thiocarbamoylamino]butyric acid phenethyl ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O5S/c23-17(9-10-18(24)27-12-11-14-5-2-1-3-6-14)21-19(28)20-15-7-4-8-16(13-15)22(25)26/h1-8,13H,9-12H2,(H2,20,21,23,28)