[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-(3-methoxy-4-prop-2-enoxy-phenyl)methanone

Systemtic Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-(3-methoxy-4-prop-2-enoxy-phenyl)methanone Openeye Name: (4-allyloxy-3-methoxy-phenyl)-[4-(benzothiophen-3-ylmethyl)piperazin-1-yl]methanone CAS Name: [4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone IUPAC Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone Traditional Name: (4-allyloxy-3-methoxy-phenyl)-[4-(benzothiophen-3-ylmethyl)piperazino]methanone Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43)OCC=C

InChI

InChI=1S/C24H26N2O3S/c1-3-14-29-21-9-8-18(15-22(21)28-2)24(27)26-12-10-25(11-13-26)16-19-17-30-23-7-5-4-6-20(19)23/h3-9,15,17H,1,10-14,16H2,2H3