phenethyl 4-[(2-nitrophenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[(2-nitrophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(2-nitrophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2-nitroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(2-nitrophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(2-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(10-11-18(24)27-13-12-14-6-2-1-3-7-14)21-19(28)20-15-8-4-5-9-16(15)22(25)26/h1-9H,10-13H2,(H2,20,21,23,28)