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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-methyl-4-propyl-thiophen-2-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-methyl-4-propyl-2-thienyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(5-methyl-4-propyl-2-thiophenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone Traditional Name: (5-methyl-4-propyl-2-thienyl)-(4-piperonylpiperazino)methanone Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H26N2O3S/c1-3-4-17-12-20(27-15(17)2)21(24)23-9-7-22(8-10-23)13-16-5-6-18-19(11-16)26-14-25-18/h5-6,11-12H,3-4,7-10,13-14H2,1-2H3