methyl 2-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(isobutylamino)-2-oxo-ethyl]sulfanyl-4-oxo-3-phenethyl-quinazoline-7-carboxylate CAS Name: 2-[[2-(2-methylpropylamino)-2-oxoethyl]thio]-4-oxo-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(2-methylpropylamino)-2-oxoethyl]sulfanyl-4-oxo-3-phenethylquinazoline-7-carboxylate Traditional Name: 2-[[2-(isobutylamino)-2-keto-ethyl]thio]-4-keto-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCC3=CC=CC=C3

Isomeric SMILES

CC(C)CNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O4S/c1-16(2)14-25-21(28)15-32-24-26-20-13-18(23(30)31-3)9-10-19(20)22(29)27(24)12-11-17-7-5-4-6-8-17/h4-10,13,16H,11-12,14-15H2,1-3H3,(H,25,28)