3-(2,3-dimethylphenyl)-4-oxidanylidene-N-(2-phenoxyethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(2,3-dimethylphenyl)-4-oxidanylidene-N-(2-phenoxyethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(2,3-dimethylphenyl)-4-oxo-N-(2-phenoxyethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(2,3-dimethylphenyl)-4-oxo-N-(2-phenoxyethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(2,3-dimethylphenyl)-4-oxo-N-(2-phenoxyethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(2,3-dimethylphenyl)-4-keto-N-(2-phenoxyethyl)-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)NCCOC4=CC=CC=C4)NC2=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCOC4=CC=CC=C4)NC2=S)C

InChI

InChI=1S/C25H23N3O3S/c1-16-7-6-10-22(17(16)2)28-24(30)20-12-11-18(15-21(20)27-25(28)32)23(29)26-13-14-31-19-8-4-3-5-9-19/h3-12,15H,13-14H2,1-2H3,(H,26,29)(H,27,32)