4-(azepan-1-ylmethyl)-N-(2-methylsulfanylphenyl)benzamide

Systemtic Name: 4-(azepan-1-ylmethyl)-N-(2-methylsulfanylphenyl)benzamide Openeye Name: 4-(azepan-1-ylmethyl)-N-(2-methylsulfanylphenyl)benzamide CAS Name: 4-(1-azepanylmethyl)-N-[2-(methylthio)phenyl]benzamide IUPAC Name: 4-(azepan-1-ylmethyl)-N-(2-methylsulfanylphenyl)benzamide Traditional Name: 4-(azepan-1-ylmethyl)-N-[2-(methylthio)phenyl]benzamide Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN3CCCCCC3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN3CCCCCC3

InChI

InChI=1S/C21H26N2OS/c1-25-20-9-5-4-8-19(20)22-21(24)18-12-10-17(11-13-18)16-23-14-6-2-3-7-15-23/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,22,24)