4-(azepan-1-ylmethyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide

Systemtic Name: 4-(azepan-1-ylmethyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide Openeye Name: 4-(azepan-1-ylmethyl)-N-[2-(p-tolylmethylsulfanyl)ethyl]benzamide CAS Name: 4-(1-azepanylmethyl)-N-[2-[(4-methylphenyl)methylthio]ethyl]benzamide IUPAC Name: 4-(azepan-1-ylmethyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide Traditional Name: 4-(azepan-1-ylmethyl)-N-[2-[(4-methylbenzyl)thio]ethyl]benzamide Formula: C24H32N2OS MolecularWeight: 396.58868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C2=CC=C(C=C2)CN3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)C2=CC=C(C=C2)CN3CCCCCC3

InChI

InChI=1S/C24H32N2OS/c1-20-6-8-22(9-7-20)19-28-17-14-25-24(27)23-12-10-21(11-13-23)18-26-15-4-2-3-5-16-26/h6-13H,2-5,14-19H2,1H3,(H,25,27)