N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-3-(6-bromo-4-oxo-quinazolin-3-yl)propanamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-3-(6-bromo-4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-3-(6-bromo-4-keto-quinazolin-3-yl)propionamide Formula: C19H17BrN4O3S MolecularWeight: 461.33228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br)SCC(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br)SCC(=O)N

InChI

InChI=1S/C19H17BrN4O3S/c20-12-5-6-14-13(9-12)19(27)24(11-22-14)8-7-18(26)23-15-3-1-2-4-16(15)28-10-17(21)25/h1-6,9,11H,7-8,10H2,(H2,21,25)(H,23,26)