2-(azepan-3-yl)-N-(3-methylsulfanylphenyl)azetidine-1-carboxamide

Systemtic Name: 2-(azepan-3-yl)-N-(3-methylsulfanylphenyl)azetidine-1-carboxamide Openeye Name: 2-(azepan-3-yl)-N-(3-methylsulfanylphenyl)azetidine-1-carboxamide CAS Name: 2-(3-azepanyl)-N-[3-(methylthio)phenyl]-1-azetidinecarboxamide IUPAC Name: 2-(azepan-3-yl)-N-(3-methylsulfanylphenyl)azetidine-1-carboxamide Traditional Name: 2-(azepan-3-yl)-N-[3-(methylthio)phenyl]azetidine-1-carboxamide Formula: C17H25N3OS MolecularWeight: 319.4649

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)N2CCC2C3CCCCNC3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)N2CCC2C3CCCCNC3

InChI

InChI=1S/C17H25N3OS/c1-22-15-7-4-6-14(11-15)19-17(21)20-10-8-16(20)13-5-2-3-9-18-12-13/h4,6-7,11,13,16,18H,2-3,5,8-10,12H2,1H3,(H,19,21)