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

Systemtic Name: 4-[2-[(3-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(3-carbamoylanilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(3-carbamoylanilino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(3-carbamoylanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(3-carbamoylanilino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C16H14N4O5S MolecularWeight: 374.37116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O5S/c17-15(22)9-2-1-3-11(6-9)19-14(21)8-26-13-5-4-10(16(18)23)7-12(13)20(24)25/h1-7H,8H2,(H2,17,22)(H2,18,23)(H,19,21)