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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-3-cyclohexyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-3-cyclohexyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3-chloro-4-methoxyphenyl)-3-cyclohexyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-3-cyclohexyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-3-cyclohexyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4CCCCC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4CCCCC4)Cl

InChI

InChI=1S/C22H22ClN3O3S/c1-29-19-10-8-14(12-17(19)23)24-20(27)13-7-9-16-18(11-13)25-22(30)26(21(16)28)15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,24,27)(H,25,30)