3-nitro-4-[2-oxidanylidene-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-[[phenyl(2-thienyl)methyl]amino]ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-[[phenyl(2-thienyl)methyl]amino]ethyl]thio]-3-nitro-benzamide Formula: C20H17N3O4S2 MolecularWeight: 427.49668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O4S2/c21-20(25)14-8-9-16(15(11-14)23(26)27)29-12-18(24)22-19(17-7-4-10-28-17)13-5-2-1-3-6-13/h1-11,19H,12H2,(H2,21,25)(H,22,24)