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

Systemtic Name: 2-(4-aminophenyl)sulfanyl-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]butan-1-one Openeye Name: 2-(4-aminophenyl)sulfanyl-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]butan-1-one CAS Name: 2-[(4-aminophenyl)thio]-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-butanone IUPAC Name: 2-(4-aminophenyl)sulfanyl-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]butan-1-one Traditional Name: 2-[(4-aminophenyl)thio]-1-(4-piperonylpiperazino)butan-1-one Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)SC4=CC=C(C=C4)N

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)SC4=CC=C(C=C4)N

InChI

InChI=1S/C22H27N3O3S/c1-2-21(29-18-6-4-17(23)5-7-18)22(26)25-11-9-24(10-12-25)14-16-3-8-19-20(13-16)28-15-27-19/h3-8,13,21H,2,9-12,14-15,23H2,1H3