3-(2,3-dimethylphenyl)-4-oxidanylidene-N-pentan-2-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(2,3-dimethylphenyl)-4-oxidanylidene-N-pentan-2-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(2,3-dimethylphenyl)-N-(1-methylbutyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(2,3-dimethylphenyl)-4-oxo-N-pentan-2-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(2,3-dimethylphenyl)-4-oxo-N-pentan-2-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(2,3-dimethylphenyl)-4-keto-N-(1-methylbutyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3=CC=CC(=C3C)C

Isomeric SMILES

CCCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3=CC=CC(=C3C)C

InChI

InChI=1S/C22H25N3O2S/c1-5-7-14(3)23-20(26)16-10-11-17-18(12-16)24-22(28)25(21(17)27)19-9-6-8-13(2)15(19)4/h6,8-12,14H,5,7H2,1-4H3,(H,23,26)(H,24,28)