methyl 2-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(butylamino)-2-oxo-ethyl]sulfanyl-4-oxo-3-phenyl-quinazoline-7-carboxylate CAS Name: 2-[[2-(butylamino)-2-oxoethyl]thio]-4-oxo-3-phenyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(butylamino)-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate Traditional Name: 2-[[2-(butylamino)-2-keto-ethyl]thio]-4-keto-3-phenyl-quinazoline-7-carboxylic acid methyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4S/c1-3-4-12-23-19(26)14-30-22-24-18-13-15(21(28)29-2)10-11-17(18)20(27)25(22)16-8-6-5-7-9-16/h5-11,13H,3-4,12,14H2,1-2H3,(H,23,26)