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

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-[3-(phenylthio)propylamino]ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-[3-(phenylthio)propylamino]ethyl]thio]-3-nitro-benzamide Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S2/c19-18(23)13-7-8-16(15(11-13)21(24)25)27-12-17(22)20-9-4-10-26-14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10,12H2,(H2,19,23)(H,20,22)