3-cyclopentyl-N-methyl-4-oxidanylidene-N-(2-pyridin-2-ylethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-cyclopentyl-N-methyl-4-oxidanylidene-N-(2-pyridin-2-ylethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-cyclopentyl-N-methyl-4-oxo-N-[2-(2-pyridyl)ethyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-cyclopentyl-N-methyl-4-oxo-N-[2-(2-pyridinyl)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-cyclopentyl-N-methyl-4-oxo-N-(2-pyridin-2-ylethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-cyclopentyl-4-keto-N-methyl-N-[2-(2-pyridyl)ethyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4CCCC4

Isomeric SMILES

CN(CCC1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4CCCC4

InChI

InChI=1S/C22H24N4O2S/c1-25(13-11-16-6-4-5-12-23-16)20(27)15-9-10-18-19(14-15)24-22(29)26(21(18)28)17-7-2-3-8-17/h4-6,9-10,12,14,17H,2-3,7-8,11,13H2,1H3,(H,24,29)