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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-methyl-2-(3-pyridyl)thiazol-5-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[4-methyl-2-(3-pyridinyl)-5-thiazolyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone Traditional Name: [4-methyl-2-(3-pyridyl)thiazol-5-yl]-(4-piperonylpiperazino)methanone Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H22N4O3S/c1-15-20(30-21(24-15)17-3-2-6-23-12-17)22(27)26-9-7-25(8-10-26)13-16-4-5-18-19(11-16)29-14-28-18/h2-6,11-12H,7-10,13-14H2,1H3