N-[4-[1-(1-benzofuran-2-yl)ethylcarbamothioylamino]phenyl]isoquinoline-1-carboxamide

Systemtic Name: N-[4-[1-(1-benzofuran-2-yl)ethylcarbamothioylamino]phenyl]isoquinoline-1-carboxamide Openeye Name: N-[4-[1-(benzofuran-2-yl)ethylcarbamothioylamino]phenyl]isoquinoline-1-carboxamide CAS Name: N-[4-[[[1-(2-benzofuranyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]-1-isoquinolinecarboxamide IUPAC Name: N-[4-[1-(1-benzofuran-2-yl)ethylcarbamothioylamino]phenyl]isoquinoline-1-carboxamide Traditional Name: N-[4-[1-(benzofuran-2-yl)ethylthiocarbamoylamino]phenyl]isoquinoline-1-carboxamide Formula: C27H22N4O2S MolecularWeight: 466.55418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

CC(C1=CC2=CC=CC=C2O1)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C27H22N4O2S/c1-17(24-16-19-7-3-5-9-23(19)33-24)29-27(34)31-21-12-10-20(11-13-21)30-26(32)25-22-8-4-2-6-18(22)14-15-28-25/h2-17H,1H3,(H,30,32)(H2,29,31,34)