methyl 4-oxidanylidene-3-[[4-(propan-2-ylcarbamoyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-3-[[4-(propan-2-ylcarbamoyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[[4-(isopropylcarbamoyl)phenyl]methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-[[4-[oxo-(propan-2-ylamino)methyl]phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-[[4-(propan-2-ylcarbamoyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-[4-(isopropylcarbamoyl)benzyl]-4-keto-2-thioxo-1H-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)C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S

Isomeric SMILES

CC(C)NC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S

InChI

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