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

Systemtic Name: 2-(4-isocyanothiophen-2-yl)-2-propan-2-yl-5-[4-(3-thiophen-2-ylpropyl)piperazin-1-yl]pentanenitrile Openeye Name: 2-(4-isocyano-2-thienyl)-2-isopropyl-5-[4-[3-(2-thienyl)propyl]piperazin-1-yl]pentanenitrile CAS Name: 2-(4-isocyano-2-thiophenyl)-2-propan-2-yl-5-[4-(3-thiophen-2-ylpropyl)-1-piperazinyl]pentanenitrile IUPAC Name: 2-(4-isocyanothiophen-2-yl)-2-propan-2-yl-5-[4-(3-thiophen-2-ylpropyl)piperazin-1-yl]pentanenitrile Traditional Name: 2-(4-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(=CS3)[N+]#[C-]

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCCC2=CC=CS2)(C#N)C3=CC(=CS3)[N+]#[C-]

InChI

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