2-(5-isocyanothiophen-2-yl)-2-propan-2-yl-5-[4-(3-thiophen-2-ylpropyl)piperazin-1-yl]pentanenitrile

Systemtic Name: 2-(5-isocyanothiophen-2-yl)-2-propan-2-yl-5-[4-(3-thiophen-2-ylpropyl)piperazin-1-yl]pentanenitrile Openeye Name: 2-(5-isocyano-2-thienyl)-2-isopropyl-5-[4-[3-(2-thienyl)propyl]piperazin-1-yl]pentanenitrile CAS Name: 2-(5-isocyano-2-thiophenyl)-2-propan-2-yl-5-[4-(3-thiophen-2-ylpropyl)-1-piperazinyl]pentanenitrile IUPAC Name: 2-(5-isocyanothiophen-2-yl)-2-propan-2-yl-5-[4-(3-thiophen-2-ylpropyl)piperazin-1-yl]pentanenitrile Traditional Name: 2-(5-isocyano-2-thienyl)-2-isopropyl-5-[4-[3-(2-thienyl)propyl]piperazino]valeronitrile Formula: C24H32N4S2 MolecularWeight: 440.66768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCCC2=CC=CS2)(C#N)C3=CC=C(S3)[N+]#[C-]

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCCC2=CC=CS2)(C#N)C3=CC=C(S3)[N+]#[C-]

InChI

InChI=1S/C24H32N4S2/c1-20(2)24(19-25,22-9-10-23(26-3)30-22)11-6-13-28-16-14-27(15-17-28)12-4-7-21-8-5-18-29-21/h5,8-10,18,20H,4,6-7,11-17H2,1-2H3