4-(azepan-1-ylmethyl)-N-[2-(4-chlorophenyl)sulfanylethyl]benzamide

Systemtic Name: 4-(azepan-1-ylmethyl)-N-[2-(4-chlorophenyl)sulfanylethyl]benzamide Openeye Name: 4-(azepan-1-ylmethyl)-N-[2-(4-chlorophenyl)sulfanylethyl]benzamide CAS Name: 4-(1-azepanylmethyl)-N-[2-[(4-chlorophenyl)thio]ethyl]benzamide IUPAC Name: 4-(azepan-1-ylmethyl)-N-[2-(4-chlorophenyl)sulfanylethyl]benzamide Traditional Name: 4-(azepan-1-ylmethyl)-N-[2-[(4-chlorophenyl)thio]ethyl]benzamide Formula: C22H27ClN2OS MolecularWeight: 402.98058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2OS/c23-20-9-11-21(12-10-20)27-16-13-24-22(26)19-7-5-18(6-8-19)17-25-14-3-1-2-4-15-25/h5-12H,1-4,13-17H2,(H,24,26)