4-(azepan-1-ylmethyl)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]benzamide

Systemtic Name: 4-(azepan-1-ylmethyl)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]benzamide Openeye Name: 4-(azepan-1-ylmethyl)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]benzamide CAS Name: 4-(1-azepanylmethyl)-N-[2-[(3-chlorophenyl)methylthio]ethyl]benzamide IUPAC Name: 4-(azepan-1-ylmethyl)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]benzamide Traditional Name: 4-(azepan-1-ylmethyl)-N-[2-[(3-chlorobenzyl)thio]ethyl]benzamide Formula: C23H29ClN2OS MolecularWeight: 417.00716

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CC=C(C=C2)C(=O)NCCSCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCCN(CC1)CC2=CC=C(C=C2)C(=O)NCCSCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H29ClN2OS/c24-22-7-5-6-20(16-22)18-28-15-12-25-23(27)21-10-8-19(9-11-21)17-26-13-3-1-2-4-14-26/h5-11,16H,1-4,12-15,17-18H2,(H,25,27)