N-(4-bromanyl-3-methyl-phenyl)-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-(4-bromo-3-methylphenyl)-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C18H16BrN3O2S MolecularWeight: 418.30754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)Br

InChI

InChI=1S/C18H16BrN3O2S/c1-11-10-12(6-7-14(11)19)20-16(23)8-9-22-17(24)13-4-2-3-5-15(13)21-18(22)25/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,25)