N-[3-(azepan-1-yl)propyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzamide Openeye Name: N-[3-(azepan-1-yl)propyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzamide CAS Name: N-[3-(1-azepanyl)propyl]-4-[[(4-chlorophenyl)thio]methyl]benzamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzamide Traditional Name: N-[3-(azepan-1-yl)propyl]-4-[[(4-chlorophenyl)thio]methyl]benzamide Formula: C23H29ClN2OS MolecularWeight: 417.00716

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCCN(CC1)CCCNC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H29ClN2OS/c24-21-10-12-22(13-11-21)28-18-19-6-8-20(9-7-19)23(27)25-14-5-17-26-15-3-1-2-4-16-26/h6-13H,1-5,14-18H2,(H,25,27)