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

Systemtic Name: 4-(1,3-dithiolan-2-yl)-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]benzamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-(1,3-dithiolan-2-yl)benzamide CAS Name: 4-(1,3-dithiolan-2-yl)-N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-(1,3-dithiolan-2-yl)benzamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-4-(1,3-dithiolan-2-yl)benzamide Formula: C27H29N3OS2 MolecularWeight: 475.66866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C5SCCS5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C5SCCS5

InChI

InChI=1S/C27H29N3OS2/c31-26(22-6-8-23(9-7-22)27-32-18-19-33-27)28-24-10-12-25(13-11-24)30-16-14-29(15-17-30)20-21-4-2-1-3-5-21/h1-13,27H,14-20H2,(H,28,31)