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

Systemtic Name: N-cyclohexyl-3-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-cyclohexyl-3-(3,4-dimethoxyphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-cyclohexyl-3-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-cyclohexyl-3-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-cyclohexyl-3-(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)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCCC4)NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCCC4)NC2=S)OC

InChI

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