N-(cyanomethyl)-3-(1-methylcyclopropyl)-2-[4-(4-piperazin-1-ylphenyl)phenyl]sulfanyl-propanamide

Systemtic Name: N-(cyanomethyl)-3-(1-methylcyclopropyl)-2-[4-(4-piperazin-1-ylphenyl)phenyl]sulfanyl-propanamide Openeye Name: N-(cyanomethyl)-3-(1-methylcyclopropyl)-2-[4-(4-piperazin-1-ylphenyl)phenyl]sulfanyl-propanamide CAS Name: N-(cyanomethyl)-3-(1-methylcyclopropyl)-2-[[4-[4-(1-piperazinyl)phenyl]phenyl]thio]propanamide IUPAC Name: N-(cyanomethyl)-3-(1-methylcyclopropyl)-2-[4-(4-piperazin-1-ylphenyl)phenyl]sulfanylpropanamide Traditional Name: N-(cyanomethyl)-3-(1-methylcyclopropyl)-2-[[4-(4-piperazinophenyl)phenyl]thio]propionamide Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1)CC(C(=O)NCC#N)SC2=CC=C(C=C2)C3=CC=C(C=C3)N4CCNCC4

Isomeric SMILES

CC1(CC1)CC(C(=O)NCC#N)SC2=CC=C(C=C2)C3=CC=C(C=C3)N4CCNCC4

InChI

InChI=1S/C25H30N4OS/c1-25(10-11-25)18-23(24(30)28-13-12-26)31-22-8-4-20(5-9-22)19-2-6-21(7-3-19)29-16-14-27-15-17-29/h2-9,23,27H,10-11,13-18H2,1H3,(H,28,30)