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

Systemtic Name: N-(3,4-dimethylphenyl)-4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3,4-dimethylphenyl)-4-oxo-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3,4-dimethylphenyl)-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3,4-dimethylphenyl)-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(3,4-dimethylphenyl)-4-keto-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CC=CC=C4)C

InChI

InChI=1S/C25H23N3O2S/c1-16-8-10-20(14-17(16)2)26-23(29)19-9-11-21-22(15-19)27-25(31)28(24(21)30)13-12-18-6-4-3-5-7-18/h3-11,14-15H,12-13H2,1-2H3,(H,26,29)(H,27,31)