N-(3,4-dimethoxyphenyl)-4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide Openeye Name: N-(3,4-dimethoxyphenyl)-4-[(4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarboxamide CAS Name: N-(3,4-dimethoxyphenyl)-4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-1-cyclohexanecarboxamide IUPAC Name: N-(3,4-dimethoxyphenyl)-4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide Traditional Name: N-(3,4-dimethoxyphenyl)-4-[(4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarboxamide Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4NC3=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4NC3=S)OC

InChI

InChI=1S/C24H27N3O4S/c1-30-20-12-11-17(13-21(20)31-2)25-22(28)16-9-7-15(8-10-16)14-27-23(29)18-5-3-4-6-19(18)26-24(27)32/h3-6,11-13,15-16H,7-10,14H2,1-2H3,(H,25,28)(H,26,32)