N-(2,5-dimethoxyphenyl)-4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(2,5-dimethoxyphenyl)-4-oxo-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(2,5-dimethoxyphenyl)-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2,5-dimethoxyphenyl)-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(2,5-dimethoxyphenyl)-4-keto-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CC=CC=C4

InChI

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