2-[4-[(E)-3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanamide

Systemtic Name: 2-[4-[(E)-3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanamide Openeye Name: 2-[4-[(E)-3-[4-(benzothiophen-3-ylmethyl)piperazin-1-yl]-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]acetamide CAS Name: 2-[4-[(E)-3-[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetamide IUPAC Name: 2-[4-[(E)-3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetamide Traditional Name: 2-[4-[(E)-3-[4-(benzothiophen-3-ylmethyl)piperazino]-3-keto-prop-1-enyl]-2-methoxy-phenoxy]acetamide Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O4S/c1-31-22-14-18(6-8-21(22)32-16-24(26)29)7-9-25(30)28-12-10-27(11-13-28)15-19-17-33-23-5-3-2-4-20(19)23/h2-9,14,17H,10-13,15-16H2,1H3,(H2,26,29)/b9-7+