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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCSC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

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