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

Systemtic Name: N-(3-methylphenyl)-4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(m-tolyl)-4-oxo-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3-methylphenyl)-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-methylphenyl)-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-(m-tolyl)-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H21N3O2S MolecularWeight: 415.50744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O2S/c1-16-6-5-9-19(14-16)25-22(28)18-10-11-20-21(15-18)26-24(30)27(23(20)29)13-12-17-7-3-2-4-8-17/h2-11,14-15H,12-13H2,1H3,(H,25,28)(H,26,30)