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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-oxidanylidene-N-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3,4-dimethoxyphenyl)-4-oxo-N-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3,4-dimethoxyphenyl)-4-oxo-N-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-oxo-N-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3,4-dimethoxyphenyl)-4-keto-N-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H23N3O4S MolecularWeight: 461.53282

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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)NCCC4=CC=CC=C4)NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CC=CC=C4)NC2=S)OC

InChI

InChI=1S/C25H23N3O4S/c1-31-21-11-9-18(15-22(21)32-2)28-24(30)19-10-8-17(14-20(19)27-25(28)33)23(29)26-13-12-16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,26,29)(H,27,33)