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

Systemtic Name: 2-(4-aminophenyl)sulfanyl-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-aminophenyl)sulfanyl-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-aminophenyl)thio]-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-aminophenyl)sulfanyl-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-aminophenyl)thio]-1-(4-piperonylpiperazino)ethanone Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CSC4=CC=C(C=C4)N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CSC4=CC=C(C=C4)N

InChI

InChI=1S/C20H23N3O3S/c21-16-2-4-17(5-3-16)27-13-20(24)23-9-7-22(8-10-23)12-15-1-6-18-19(11-15)26-14-25-18/h1-6,11H,7-10,12-14,21H2