methyl 4-oxidanylidene-2-(2-oxidanylideneazepan-3-yl)sulfanyl-3-phenethyl-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-(2-oxidanylideneazepan-3-yl)sulfanyl-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-(2-oxoazepan-3-yl)sulfanyl-3-phenethyl-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[(2-oxo-3-azepanyl)thio]-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-(2-oxoazepan-3-yl)sulfanyl-3-phenethylquinazoline-7-carboxylate Traditional Name: 4-keto-2-[(2-ketoazepan-3-yl)thio]-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SC3CCCCNC3=O)CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SC3CCCCNC3=O)CCC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O4S/c1-31-23(30)17-10-11-18-19(15-17)26-24(32-20-9-5-6-13-25-21(20)28)27(22(18)29)14-12-16-7-3-2-4-8-16/h2-4,7-8,10-11,15,20H,5-6,9,12-14H2,1H3,(H,25,28)