N-(cyanomethyl)-4-methyl-2-(4-piperazin-1-ylphenyl)sulfanyl-pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-(4-piperazin-1-ylphenyl)sulfanyl-pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-(4-piperazin-1-ylphenyl)sulfanyl-pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-(1-piperazinyl)phenyl]thio]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-(4-piperazin-1-ylphenyl)sulfanylpentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[(4-piperazinophenyl)thio]valeramide Formula: C18H26N4OS MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)N2CCNCC2

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)N2CCNCC2

InChI

InChI=1S/C18H26N4OS/c1-14(2)13-17(18(23)21-8-7-19)24-16-5-3-15(4-6-16)22-11-9-20-10-12-22/h3-6,14,17,20H,8-13H2,1-2H3,(H,21,23)