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

Systemtic Name: isoquinolin-3-yl N-[4-[1-(4-bromophenyl)ethylcarbamothioylamino]phenyl]carbamate Openeye Name: 3-isoquinolyl N-[4-[1-(4-bromophenyl)ethylcarbamothioylamino]phenyl]carbamate CAS Name: N-[4-[[[1-(4-bromophenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]carbamic acid 3-isoquinolinyl ester IUPAC Name: isoquinolin-3-yl N-[4-[1-(4-bromophenyl)ethylcarbamothioylamino]phenyl]carbamate Traditional Name: N-[4-[1-(4-bromophenyl)ethylthiocarbamoylamino]phenyl]carbamic acid 3-isoquinolyl ester Formula: C25H21BrN4O2S MolecularWeight: 521.42884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=S)NC2=CC=C(C=C2)NC(=O)OC3=CC4=CC=CC=C4C=N3

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)NC(=S)NC2=CC=C(C=C2)NC(=O)OC3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C25H21BrN4O2S/c1-16(17-6-8-20(26)9-7-17)28-24(33)29-21-10-12-22(13-11-21)30-25(31)32-23-14-18-4-2-3-5-19(18)15-27-23/h2-16H,1H3,(H,30,31)(H2,28,29,33)