N-(4-bromanyl-3-methyl-phenyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-(4-bromo-3-methyl-phenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-(4-bromo-3-methyl-phenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C19H16BrN3O2S MolecularWeight: 430.31824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrN3O2S/c1-3-8-23-18(25)14-6-4-12(10-16(14)22-19(23)26)17(24)21-13-5-7-15(20)11(2)9-13/h3-7,9-10H,1,8H2,2H3,(H,21,24)(H,22,26)