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

Systemtic Name: 4-(azepan-1-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide Openeye Name: 4-(azepan-1-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide CAS Name: 4-(1-azepanylmethyl)-N-[2-(phenylthio)ethyl]benzamide IUPAC Name: 4-(azepan-1-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide Traditional Name: 4-(azepan-1-ylmethyl)-N-[2-(phenylthio)ethyl]benzamide Formula: C22H28N2OS MolecularWeight: 368.53552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CC=C(C=C2)C(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)CC2=CC=C(C=C2)C(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C22H28N2OS/c25-22(23-14-17-26-21-8-4-3-5-9-21)20-12-10-19(11-13-20)18-24-15-6-1-2-7-16-24/h3-5,8-13H,1-2,6-7,14-18H2,(H,23,25)