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

Systemtic Name: N-[2-(2,4-dimethylpyrido[2,3-b]indol-9-yl)ethylcarbamothioyl]pyridine-3-carboxamide Openeye Name: N-[2-(2,4-dimethylpyrido[2,3-b]indol-9-yl)ethylcarbamothioyl]pyridine-3-carboxamide CAS Name: N-[[2-(2,4-dimethyl-9-pyrido[2,3-b]indolyl)ethylamino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[2-(2,4-dimethylpyrido[2,3-b]indol-9-yl)ethylcarbamothioyl]pyridine-3-carboxamide Traditional Name: N-[2-(2,4-dimethylpyrid[2,3-b]indol-9-yl)ethylthiocarbamoyl]nicotinamide 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=CN=CC=C4)C

Isomeric SMILES

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

InChI

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