N-[4-[1-(4-bromophenyl)ethylcarbamothioylamino]phenyl]isoquinoline-3-carboxamide

Systemtic Name: N-[4-[1-(4-bromophenyl)ethylcarbamothioylamino]phenyl]isoquinoline-3-carboxamide Openeye Name: N-[4-[1-(4-bromophenyl)ethylcarbamothioylamino]phenyl]isoquinoline-3-carboxamide CAS Name: N-[4-[[[1-(4-bromophenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]-3-isoquinolinecarboxamide IUPAC Name: N-[4-[1-(4-bromophenyl)ethylcarbamothioylamino]phenyl]isoquinoline-3-carboxamide Traditional Name: N-[4-[1-(4-bromophenyl)ethylthiocarbamoylamino]phenyl]isoquinoline-3-carboxamide Formula: C25H21BrN4OS MolecularWeight: 505.42944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=N3

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C25H21BrN4OS/c1-16(17-6-8-20(26)9-7-17)28-25(32)30-22-12-10-21(11-13-22)29-24(31)23-14-18-4-2-3-5-19(18)15-27-23/h2-16H,1H3,(H,29,31)(H2,28,30,32)