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

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)-1H-quinazoline-7-carboxamide Openeye Name: 3-benzyl-4-oxo-2-thioxo-N-(3,4,5-trimethoxyphenyl)-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-(phenylmethyl)-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)-1H-quinazoline-7-carboxamide IUPAC Name: 3-benzyl-4-oxo-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)-1H-quinazoline-7-carboxamide Traditional Name: 3-benzyl-4-keto-2-thioxo-N-(3,4,5-trimethoxyphenyl)-1H-quinazoline-7-carboxamide Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O5S/c1-31-20-12-17(13-21(32-2)22(20)33-3)26-23(29)16-9-10-18-19(11-16)27-25(34)28(24(18)30)14-15-7-5-4-6-8-15/h4-13H,14H2,1-3H3,(H,26,29)(H,27,34)