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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2OC(=O)NC3=CC=C(C=C3)NC(=S)NCCC4=CC5=CC=CC=C5O4

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2OC(=O)NC3=CC=C(C=C3)NC(=S)NCCC4=CC5=CC=CC=C5O4

InChI

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