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

Systemtic Name: 3-(2,3-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(2,3-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(2,3-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(2,3-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(2,3-dimethylphenyl)-4-keto-N-m-anisyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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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)NCC4=CC(=CC=C4)OC)NC2=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC(=CC=C4)OC)NC2=S)C

InChI

InChI=1S/C25H23N3O3S/c1-15-6-4-9-22(16(15)2)28-24(30)20-11-10-18(13-21(20)27-25(28)32)23(29)26-14-17-7-5-8-19(12-17)31-3/h4-13H,14H2,1-3H3,(H,26,29)(H,27,32)