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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-propan-2-ylsulfanylpyridin-3-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-isopropylsulfanyl-3-pyridyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(propan-2-ylthio)-3-pyridinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-propan-2-ylsulfanylpyridin-3-yl)methanone Traditional Name: [2-(isopropylthio)-3-pyridyl]-(4-piperonylpiperazino)methanone Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C=CC=N1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)SC1=C(C=CC=N1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O3S/c1-15(2)28-20-17(4-3-7-22-20)21(25)24-10-8-23(9-11-24)13-16-5-6-18-19(12-16)27-14-26-18/h3-7,12,15H,8-11,13-14H2,1-2H3