3-acetamido-N-[3-(azepan-1-yl)propyl]-4-(4-methylphenyl)sulfanyl-benzamide

Systemtic Name: 3-acetamido-N-[3-(azepan-1-yl)propyl]-4-(4-methylphenyl)sulfanyl-benzamide Openeye Name: 3-acetamido-N-[3-(azepan-1-yl)propyl]-4-(p-tolylsulfanyl)benzamide CAS Name: 3-acetamido-N-[3-(1-azepanyl)propyl]-4-[(4-methylphenyl)thio]benzamide IUPAC Name: 3-acetamido-N-[3-(azepan-1-yl)propyl]-4-(4-methylphenyl)sulfanylbenzamide Traditional Name: 3-acetamido-N-[3-(azepan-1-yl)propyl]-4-(p-tolylthio)benzamide Formula: C25H33N3O2S MolecularWeight: 439.61342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCCCN3CCCCCC3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCCCN3CCCCCC3)NC(=O)C

InChI

InChI=1S/C25H33N3O2S/c1-19-8-11-22(12-9-19)31-24-13-10-21(18-23(24)27-20(2)29)25(30)26-14-7-17-28-15-5-3-4-6-16-28/h8-13,18H,3-7,14-17H2,1-2H3,(H,26,30)(H,27,29)