3-[(4-chlorophenyl)methyl]-N-(2-methylcyclohexyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[(4-chlorophenyl)methyl]-N-(2-methylcyclohexyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(4-chlorophenyl)methyl]-N-(2-methylcyclohexyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(4-chlorophenyl)methyl]-N-(2-methylcyclohexyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(4-chlorophenyl)methyl]-N-(2-methylcyclohexyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(4-chlorobenzyl)-4-keto-N-(2-methylcyclohexyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H24ClN3O2S MolecularWeight: 441.97356

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1CCCCC1NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H24ClN3O2S/c1-14-4-2-3-5-19(14)25-21(28)16-8-11-18-20(12-16)26-23(30)27(22(18)29)13-15-6-9-17(24)10-7-15/h6-12,14,19H,2-5,13H2,1H3,(H,25,28)(H,26,30)