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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-homoveratryl-4-keto-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O4S/c1-33-23-11-8-19(16-24(23)34-2)12-14-28-25(31)20-9-10-21-22(17-20)29-27(35)30(26(21)32)15-13-18-6-4-3-5-7-18/h3-11,16-17H,12-15H2,1-2H3,(H,28,31)(H,29,35)