methyl 3-(2-methylpropyl)-4-oxidanylidene-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-quinazoline-7-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4S/c1-14(2)12-25-20(27)17-10-9-15(21(28)29-3)11-18(17)24-22(25)30-13-19(26)23-16-7-5-4-6-8-16/h4-11,14H,12-13H2,1-3H3,(H,23,26)