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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-phenylthiophen-2-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-phenyl-2-thienyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(3-phenyl-2-thiophenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-phenylthiophen-2-yl)methanone Traditional Name: (3-phenyl-2-thienyl)-(4-piperonylpiperazino)methanone Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=CS4)C5=CC=CC=C5

InChI

InChI=1S/C23H22N2O3S/c26-23(22-19(8-13-29-22)18-4-2-1-3-5-18)25-11-9-24(10-12-25)15-17-6-7-20-21(14-17)28-16-27-20/h1-8,13-14H,9-12,15-16H2