4-[2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(3-acetamidoanilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(3-acetamidoanilino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(3-acetamidoanilino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O5S/c1-10(22)19-12-3-2-4-13(8-12)20-16(23)9-27-15-6-5-11(17(18)24)7-14(15)21(25)26/h2-8H,9H2,1H3,(H2,18,24)(H,19,22)(H,20,23)