N-[4-[1-(4-bromophenyl)ethylcarbamothioylamino]phenyl]quinoline-8-carboxamide

Systemtic Name: N-[4-[1-(4-bromophenyl)ethylcarbamothioylamino]phenyl]quinoline-8-carboxamide Openeye Name: N-[4-[1-(4-bromophenyl)ethylcarbamothioylamino]phenyl]quinoline-8-carboxamide CAS Name: N-[4-[[[1-(4-bromophenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]-8-quinolinecarboxamide IUPAC Name: N-[4-[1-(4-bromophenyl)ethylcarbamothioylamino]phenyl]quinoline-8-carboxamide Traditional Name: N-[4-[1-(4-bromophenyl)ethylthiocarbamoylamino]phenyl]quinoline-8-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=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3N=CC=C4

InChI

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