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

Systemtic Name: methyl 4-oxidanylidene-2-[2-oxidanylidene-2-(pentan-3-ylamino)ethyl]sulfanyl-3-phenyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(1-ethylpropylamino)-2-oxo-ethyl]sulfanyl-4-oxo-3-phenyl-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]thio]-3-phenyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[2-oxo-2-(pentan-3-ylamino)ethyl]sulfanyl-3-phenylquinazoline-7-carboxylate Traditional Name: 2-[[2-(1-ethylpropylamino)-2-keto-ethyl]thio]-4-keto-3-phenyl-quinazoline-7-carboxylic acid methyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4S/c1-4-16(5-2)24-20(27)14-31-23-25-19-13-15(22(29)30-3)11-12-18(19)21(28)26(23)17-9-7-6-8-10-17/h6-13,16H,4-5,14H2,1-3H3,(H,24,27)