N-[2-(2,4-dimethylpyrido[2,3-b]indol-9-yl)ethylcarbamothioyl]pyridine-4-carboxamide

Systemtic Name: N-[2-(2,4-dimethylpyrido[2,3-b]indol-9-yl)ethylcarbamothioyl]pyridine-4-carboxamide Openeye Name: N-[2-(2,4-dimethylpyrido[2,3-b]indol-9-yl)ethylcarbamothioyl]pyridine-4-carboxamide CAS Name: N-[[2-(2,4-dimethyl-9-pyrido[2,3-b]indolyl)ethylamino]-sulfanylidenemethyl]-4-pyridinecarboxamide IUPAC Name: N-[2-(2,4-dimethylpyrido[2,3-b]indol-9-yl)ethylcarbamothioyl]pyridine-4-carboxamide Traditional Name: N-[2-(2,4-dimethylpyrid[2,3-b]indol-9-yl)ethylthiocarbamoyl]isonicotinamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C3=CC=CC=C3N2CCNC(=S)NC(=O)C4=CC=NC=C4)C

Isomeric SMILES

CC1=CC(=NC2=C1C3=CC=CC=C3N2CCNC(=S)NC(=O)C4=CC=NC=C4)C

InChI

InChI=1S/C22H21N5OS/c1-14-13-15(2)25-20-19(14)17-5-3-4-6-18(17)27(20)12-11-24-22(29)26-21(28)16-7-9-23-10-8-16/h3-10,13H,11-12H2,1-2H3,(H2,24,26,28,29)