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

Systemtic Name: N-(3-nitrophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfanyl)ethanamide hydrochloride Openeye Name: N-(3-nitrophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfanyl)acetamide hydrochloride CAS Name: N-(3-nitrophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylthio)acetamide hydrochloride IUPAC Name: N-(3-nitrophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfanyl)acetamide hydrochloride Traditional Name: N-(3-nitrophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylthio)acetamide hydrochloride Formula: C14H18ClN3O3S MolecularWeight: 343.82902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3S.ClH/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);1H