2-(2-cyanophenyl)sulfanyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide

Systemtic Name: 2-(2-cyanophenyl)sulfanyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide Openeye Name: 2-(2-cyanophenyl)sulfanyl-N-[3-(2-oxoazepan-1-yl)propyl]benzamide CAS Name: 2-[(2-cyanophenyl)thio]-N-[3-(2-oxo-1-azepanyl)propyl]benzamide IUPAC Name: 2-(2-cyanophenyl)sulfanyl-N-[3-(2-oxoazepan-1-yl)propyl]benzamide Traditional Name: 2-[(2-cyanophenyl)thio]-N-[3-(2-ketoazepan-1-yl)propyl]benzamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C23H25N3O2S/c24-17-18-9-3-5-11-20(18)29-21-12-6-4-10-19(21)23(28)25-14-8-16-26-15-7-1-2-13-22(26)27/h3-6,9-12H,1-2,7-8,13-16H2,(H,25,28)