3-acetamido-N-[2-(azepan-1-yl)ethyl]-4-(4-chlorophenyl)sulfanyl-benzamide

Systemtic Name: 3-acetamido-N-[2-(azepan-1-yl)ethyl]-4-(4-chlorophenyl)sulfanyl-benzamide Openeye Name: 3-acetamido-N-[2-(azepan-1-yl)ethyl]-4-(4-chlorophenyl)sulfanyl-benzamide CAS Name: 3-acetamido-N-[2-(1-azepanyl)ethyl]-4-[(4-chlorophenyl)thio]benzamide IUPAC Name: 3-acetamido-N-[2-(azepan-1-yl)ethyl]-4-(4-chlorophenyl)sulfanylbenzamide Traditional Name: 3-acetamido-N-[2-(azepan-1-yl)ethyl]-4-[(4-chlorophenyl)thio]benzamide Formula: C23H28ClN3O2S MolecularWeight: 446.00532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)NCCN2CCCCCC2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)NCCN2CCCCCC2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H28ClN3O2S/c1-17(28)26-21-16-18(6-11-22(21)30-20-9-7-19(24)8-10-20)23(29)25-12-15-27-13-4-2-3-5-14-27/h6-11,16H,2-5,12-15H2,1H3,(H,25,29)(H,26,28)