3-nitro-4-[2-oxidanylidene-2-[(1-phenylcyclopentyl)methylamino]ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-[(1-phenylcyclopentyl)methylamino]ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-[(1-phenylcyclopentyl)methylamino]ethyl]thio]-3-nitro-benzamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CNC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)(CNC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4S/c22-20(26)15-8-9-18(17(12-15)24(27)28)29-13-19(25)23-14-21(10-4-5-11-21)16-6-2-1-3-7-16/h1-3,6-9,12H,4-5,10-11,13-14H2,(H2,22,26)(H,23,25)