N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]isoquinoline-1-carboxamide

Systemtic Name: N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]isoquinoline-1-carboxamide Openeye Name: N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]isoquinoline-1-carboxamide CAS Name: N-[4-[[[1-(4-cyanophenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]-1-isoquinolinecarboxamide IUPAC Name: N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]isoquinoline-1-carboxamide Traditional Name: N-[4-[1-(4-cyanophenyl)ethylthiocarbamoylamino]phenyl]isoquinoline-1-carboxamide Formula: C26H21N5OS MolecularWeight: 451.54284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C#N)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

CC(C1=CC=C(C=C1)C#N)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C26H21N5OS/c1-17(19-8-6-18(16-27)7-9-19)29-26(33)31-22-12-10-21(11-13-22)30-25(32)24-23-5-3-2-4-20(23)14-15-28-24/h2-15,17H,1H3,(H,30,32)(H2,29,31,33)