2-(4-aminophenyl)sulfanyl-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-phenyl-ethanone

Systemtic Name: 2-(4-aminophenyl)sulfanyl-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-phenyl-ethanone Openeye Name: 2-(4-aminophenyl)sulfanyl-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-phenyl-ethanone CAS Name: 2-[(4-aminophenyl)thio]-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-phenylethanone IUPAC Name: 2-(4-aminophenyl)sulfanyl-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-phenylethanone Traditional Name: 2-[(4-aminophenyl)thio]-2-phenyl-1-(4-piperonylpiperazino)ethanone Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C(C4=CC=CC=C4)SC5=CC=C(C=C5)N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C(C4=CC=CC=C4)SC5=CC=C(C=C5)N

InChI

InChI=1S/C26H27N3O3S/c27-21-7-9-22(10-8-21)33-25(20-4-2-1-3-5-20)26(30)29-14-12-28(13-15-29)17-19-6-11-23-24(16-19)32-18-31-23/h1-11,16,25H,12-15,17-18,27H2