N-(2,3-dimethylcyclohexyl)-4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzamide Openeye Name: N-(2,3-dimethylcyclohexyl)-4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)benzamide CAS Name: N-(2,3-dimethylcyclohexyl)-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide Traditional Name: N-(2,3-dimethylcyclohexyl)-4-(4-keto-2-thioxo-1H-quinazolin-3-yl)benzamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C23H25N3O2S/c1-14-6-5-9-19(15(14)2)24-21(27)16-10-12-17(13-11-16)26-22(28)18-7-3-4-8-20(18)25-23(26)29/h3-4,7-8,10-15,19H,5-6,9H2,1-2H3,(H,24,27)(H,25,29)