2-(1-benzothiophen-3-yl)-2-propan-2-yl-5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pentanenitrile

Systemtic Name: 2-(1-benzothiophen-3-yl)-2-propan-2-yl-5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pentanenitrile Openeye Name: 2-(benzothiophen-3-yl)-2-isopropyl-5-[4-(2-thienylmethyl)piperazin-1-yl]pentanenitrile CAS Name: 2-(1-benzothiophen-3-yl)-2-propan-2-yl-5-[4-(thiophen-2-ylmethyl)-1-piperazinyl]pentanenitrile IUPAC Name: 2-(1-benzothiophen-3-yl)-2-propan-2-yl-5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pentanenitrile Traditional Name: 2-(benzothiophen-3-yl)-2-isopropyl-5-[4-(2-thenyl)piperazino]valeronitrile Formula: C25H31N3S2 MolecularWeight: 437.66374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CC2=CC=CS2)(C#N)C3=CSC4=CC=CC=C43

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CC2=CC=CS2)(C#N)C3=CSC4=CC=CC=C43

InChI

InChI=1S/C25H31N3S2/c1-20(2)25(19-26,23-18-30-24-9-4-3-8-22(23)24)10-6-11-27-12-14-28(15-13-27)17-21-7-5-16-29-21/h3-5,7-9,16,18,20H,6,10-15,17H2,1-2H3