N-aminocarbonyl-3-[6-bromanyl-4-oxidanylidene-3-(1-phenylethyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-aminocarbonyl-3-[6-bromanyl-4-oxidanylidene-3-(1-phenylethyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: 3-[6-bromo-4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanyl-N-carbamoyl-propanamide CAS Name: 3-[[6-bromo-4-oxo-3-(1-phenylethyl)-2-quinazolinyl]thio]-N-carbamoylpropanamide IUPAC Name: 3-[6-bromo-4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanyl-N-carbamoylpropanamide Traditional Name: 3-[[6-bromo-4-keto-3-(1-phenylethyl)quinazolin-2-yl]thio]-N-carbamoyl-propionamide Formula: C20H19BrN4O3S MolecularWeight: 475.35886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=O)C3=C(C=CC(=C3)Br)N=C2SCCC(=O)NC(=O)N

Isomeric SMILES

CC(C1=CC=CC=C1)N2C(=O)C3=C(C=CC(=C3)Br)N=C2SCCC(=O)NC(=O)N

InChI

InChI=1S/C20H19BrN4O3S/c1-12(13-5-3-2-4-6-13)25-18(27)15-11-14(21)7-8-16(15)23-20(25)29-10-9-17(26)24-19(22)28/h2-8,11-12H,9-10H2,1H3,(H3,22,24,26,28)