4-(azepan-1-ylmethyl)-N-(2-phenylsulfanylphenyl)benzamide

Systemtic Name: 4-(azepan-1-ylmethyl)-N-(2-phenylsulfanylphenyl)benzamide Openeye Name: 4-(azepan-1-ylmethyl)-N-(2-phenylsulfanylphenyl)benzamide CAS Name: 4-(1-azepanylmethyl)-N-[2-(phenylthio)phenyl]benzamide IUPAC Name: 4-(azepan-1-ylmethyl)-N-(2-phenylsulfanylphenyl)benzamide Traditional Name: 4-(azepan-1-ylmethyl)-N-[2-(phenylthio)phenyl]benzamide Formula: C26H28N2OS MolecularWeight: 416.57832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C26H28N2OS/c29-26(22-16-14-21(15-17-22)20-28-18-8-1-2-9-19-28)27-24-12-6-7-13-25(24)30-23-10-4-3-5-11-23/h3-7,10-17H,1-2,8-9,18-20H2,(H,27,29)