isoquinolin-3-yl N-[4-[2-(1-benzofuran-2-yl)ethylcarbamothioylamino]phenyl]carbamate

Systemtic Name: isoquinolin-3-yl N-[4-[2-(1-benzofuran-2-yl)ethylcarbamothioylamino]phenyl]carbamate Openeye Name: 3-isoquinolyl N-[4-[2-(benzofuran-2-yl)ethylcarbamothioylamino]phenyl]carbamate CAS Name: N-[4-[[[2-(2-benzofuranyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]carbamic acid 3-isoquinolinyl ester IUPAC Name: isoquinolin-3-yl N-[4-[2-(1-benzofuran-2-yl)ethylcarbamothioylamino]phenyl]carbamate Traditional Name: N-[4-[2-(benzofuran-2-yl)ethylthiocarbamoylamino]phenyl]carbamic acid 3-isoquinolyl ester Formula: C27H22N4O3S MolecularWeight: 482.55358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)OC(=O)NC3=CC=C(C=C3)NC(=S)NCCC4=CC5=CC=CC=C5O4

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)OC(=O)NC3=CC=C(C=C3)NC(=S)NCCC4=CC5=CC=CC=C5O4

InChI

InChI=1S/C27H22N4O3S/c32-27(34-25-16-18-5-1-2-7-20(18)17-29-25)31-22-11-9-21(10-12-22)30-26(35)28-14-13-23-15-19-6-3-4-8-24(19)33-23/h1-12,15-17H,13-14H2,(H,31,32)(H2,28,30,35)