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

Systemtic Name: 2-[4-[(E)-3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-[4-(benzothiophen-3-ylmethyl)piperazin-1-yl]-3-oxo-prop-1-enyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-3-oxoprop-1-enyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-3-oxoprop-1-enyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-[4-(benzothiophen-3-ylmethyl)piperazino]-3-keto-prop-1-enyl]phenoxy]acetonitrile Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC3=CC=CC=C32)C(=O)C=CC4=CC=C(C=C4)OCC#N

Isomeric SMILES

C1CN(CCN1CC2=CSC3=CC=CC=C32)C(=O)/C=C/C4=CC=C(C=C4)OCC#N

InChI

InChI=1S/C24H23N3O2S/c25-11-16-29-21-8-5-19(6-9-21)7-10-24(28)27-14-12-26(13-15-27)17-20-18-30-23-4-2-1-3-22(20)23/h1-10,18H,12-17H2/b10-7+