3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4S/c1-29-19-11-9-15(13-20(19)30-2)24-21(27)14-8-10-17-18(12-14)25-23(31)26(22(17)28)16-6-4-3-5-7-16/h8-13,16H,3-7H2,1-2H3,(H,24,27)(H,25,31)