8-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2,3-dihydrothiochromen-4-one

Systemtic Name: 8-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2,3-dihydrothiochromen-4-one Openeye Name: 8-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]thiochroman-4-one CAS Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-2,3-dihydro-1-benzothiopyran-4-one IUPAC Name: 8-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2,3-dihydrothiochromen-4-one Traditional Name: 8-(4-piperonylpiperazine-1-carbonyl)thiochroman-4-one Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1=O)C=CC=C2C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CSC2=C(C1=O)C=CC=C2C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H22N2O4S/c25-18-6-11-29-21-16(18)2-1-3-17(21)22(26)24-9-7-23(8-10-24)13-15-4-5-19-20(12-15)28-14-27-19/h1-5,12H,6-11,13-14H2