N-(3-chloranyl-4-methyl-phenyl)-3-cyclohexyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-3-cyclohexyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-3-cyclohexyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3-chloro-4-methylphenyl)-3-cyclohexyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-chloro-4-methylphenyl)-3-cyclohexyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-3-cyclohexyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4CCCCC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4CCCCC4)Cl

InChI

InChI=1S/C22H22ClN3O2S/c1-13-7-9-15(12-18(13)23)24-20(27)14-8-10-17-19(11-14)25-22(29)26(21(17)28)16-5-3-2-4-6-16/h7-12,16H,2-6H2,1H3,(H,24,27)(H,25,29)