[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-isopropylsulfanylphenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(propan-2-ylthio)phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone Traditional Name: [2-(isopropylthio)phenyl]-(4-piperonylpiperazino)methanone Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)SC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N2O3S/c1-16(2)28-21-6-4-3-5-18(21)22(25)24-11-9-23(10-12-24)14-17-7-8-19-20(13-17)27-15-26-19/h3-8,13,16H,9-12,14-15H2,1-2H3