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

Systemtic Name: 3-(2,5-dimethoxyphenyl)-4-oxidanylidene-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-benzyl-3-(2,5-dimethoxyphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(2,5-dimethoxyphenyl)-4-oxo-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-benzyl-3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-benzyl-3-(2,5-dimethoxyphenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4)NC2=S

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4)NC2=S

InChI

InChI=1S/C24H21N3O4S/c1-30-17-9-11-21(31-2)20(13-17)27-23(29)18-10-8-16(12-19(18)26-24(27)32)22(28)25-14-15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H,25,28)(H,26,32)