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

Systemtic Name: methyl 4-oxidanylidene-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-3-phenyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanyl-4-oxo-3-phenyl-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]-3-phenyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-3-phenylquinazoline-7-carboxylate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]-4-keto-3-phenyl-quinazoline-7-carboxylic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-13(2)22-18(25)12-29-21-23-17-11-14(20(27)28-3)9-10-16(17)19(26)24(21)15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3,(H,22,25)