methyl 2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-butyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-butyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-3-butyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-(4-bromoanilino)-2-oxoethyl]thio]-3-butyl-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-3-butyl-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-3-butyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C22H22BrN3O4S MolecularWeight: 504.39678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H22BrN3O4S/c1-3-4-11-26-20(28)17-10-5-14(21(29)30-2)12-18(17)25-22(26)31-13-19(27)24-16-8-6-15(23)7-9-16/h5-10,12H,3-4,11,13H2,1-2H3,(H,24,27)