N-(3-nitrophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfanyl)ethanamide

Systemtic Name: N-(3-nitrophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfanyl)ethanamide Openeye Name: N-(3-nitrophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfanyl)acetamide CAS Name: N-(3-nitrophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylthio)acetamide IUPAC Name: N-(3-nitrophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfanyl)acetamide Traditional Name: N-(3-nitrophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylthio)acetamide Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=NCC1)SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O3S/c18-13(10-21-14-7-2-1-3-8-15-14)16-11-5-4-6-12(9-11)17(19)20/h4-6,9H,1-3,7-8,10H2,(H,16,18)