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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-butyl-4-methyl-1,3-thiazol-5-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-butyl-4-methyl-thiazol-5-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(2-butyl-4-methyl-5-thiazolyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-butyl-4-methyl-1,3-thiazol-5-yl)methanone Traditional Name: (2-butyl-4-methyl-thiazol-5-yl)-(4-piperonylpiperazino)methanone Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(S1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCCCC1=NC(=C(S1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H27N3O3S/c1-3-4-5-19-22-15(2)20(28-19)21(25)24-10-8-23(9-11-24)13-16-6-7-17-18(12-16)27-14-26-17/h6-7,12H,3-5,8-11,13-14H2,1-2H3