3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2-methylcyclohexyl)benzamide

Systemtic Name: 3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2-methylcyclohexyl)benzamide Openeye Name: 3-(7-chloro-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-(2-methylcyclohexyl)benzamide CAS Name: 3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2-methylcyclohexyl)benzamide IUPAC Name: 3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2-methylcyclohexyl)benzamide Traditional Name: 3-(7-chloro-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(2-methylcyclohexyl)benzamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C=C(C=C4)Cl)NC3=S

Isomeric SMILES

CC1CCCCC1NC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C=C(C=C4)Cl)NC3=S

InChI

InChI=1S/C22H22ClN3O2S/c1-13-5-2-3-8-18(13)24-20(27)14-6-4-7-16(11-14)26-21(28)17-10-9-15(23)12-19(17)25-22(26)29/h4,6-7,9-13,18H,2-3,5,8H2,1H3,(H,24,27)(H,25,29)