N-(1-cyanocyclopropyl)-4-methyl-2-[[4-(4-piperazin-1-ylphenyl)thiophen-3-yl]amino]pentanamide

Systemtic Name: N-(1-cyanocyclopropyl)-4-methyl-2-[[4-(4-piperazin-1-ylphenyl)thiophen-3-yl]amino]pentanamide Openeye Name: N-(1-cyanocyclopropyl)-4-methyl-2-[[4-(4-piperazin-1-ylphenyl)-3-thienyl]amino]pentanamide CAS Name: N-(1-cyanocyclopropyl)-4-methyl-2-[[4-[4-(1-piperazinyl)phenyl]-3-thiophenyl]amino]pentanamide IUPAC Name: N-(1-cyanocyclopropyl)-4-methyl-2-[[4-(4-piperazin-1-ylphenyl)thiophen-3-yl]amino]pentanamide Traditional Name: N-(1-cyanocyclopropyl)-4-methyl-2-[[4-(4-piperazinophenyl)-3-thienyl]amino]valeramide Formula: C24H31N5OS MolecularWeight: 437.60084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1(CC1)C#N)NC2=CSC=C2C3=CC=C(C=C3)N4CCNCC4

Isomeric SMILES

CC(C)CC(C(=O)NC1(CC1)C#N)NC2=CSC=C2C3=CC=C(C=C3)N4CCNCC4

InChI

InChI=1S/C24H31N5OS/c1-17(2)13-21(23(30)28-24(16-25)7-8-24)27-22-15-31-14-20(22)18-3-5-19(6-4-18)29-11-9-26-10-12-29/h3-6,14-15,17,21,26-27H,7-13H2,1-2H3,(H,28,30)