4-[2-[(3-aminocarbonyl-4-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(3-aminocarbonyl-4-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(3-carbamoyl-4-chloro-anilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(3-carbamoyl-4-chloroanilino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(3-carbamoyl-4-chloroanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(3-carbamoyl-4-chloro-anilino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C16H13ClN4O5S MolecularWeight: 408.81622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)N

InChI

InChI=1S/C16H13ClN4O5S/c17-11-3-2-9(6-10(11)16(19)24)20-14(22)7-27-13-4-1-8(15(18)23)5-12(13)21(25)26/h1-6H,7H2,(H2,18,23)(H2,19,24)(H,20,22)