N-[2-(azepan-1-yl)phenyl]-4-(1,3-dithiolan-2-yl)benzamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-4-(1,3-dithiolan-2-yl)benzamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-4-(1,3-dithiolan-2-yl)benzamide CAS Name: N-[2-(1-azepanyl)phenyl]-4-(1,3-dithiolan-2-yl)benzamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-4-(1,3-dithiolan-2-yl)benzamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-4-(1,3-dithiolan-2-yl)benzamide Formula: C22H26N2OS2 MolecularWeight: 398.58464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C22H26N2OS2/c25-21(17-9-11-18(12-10-17)22-26-15-16-27-22)23-19-7-3-4-8-20(19)24-13-5-1-2-6-14-24/h3-4,7-12,22H,1-2,5-6,13-16H2,(H,23,25)