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

Systemtic Name: 3-(2,3-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(2,3-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(2,3-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(2,3-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(2,3-dimethylphenyl)-4-keto-N-[2-(4-methoxyphenyl)ethyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CC=C(C=C4)OC)NC2=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CC=C(C=C4)OC)NC2=S)C

InChI

InChI=1S/C26H25N3O3S/c1-16-5-4-6-23(17(16)2)29-25(31)21-12-9-19(15-22(21)28-26(29)33)24(30)27-14-13-18-7-10-20(32-3)11-8-18/h4-12,15H,13-14H2,1-3H3,(H,27,30)(H,28,33)