methyl 4-oxidanylidene-2-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-3-phenethyl-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-(4-oxo-4-phenyl-butyl)sulfanyl-3-phenethyl-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[(4-oxo-4-phenylbutyl)thio]-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-(4-oxo-4-phenylbutyl)sulfanyl-3-phenethylquinazoline-7-carboxylate Traditional Name: 4-keto-2-[(4-keto-4-phenyl-butyl)thio]-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C28H26N2O4S MolecularWeight: 486.58204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCCCC(=O)C3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCCCC(=O)C3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C28H26N2O4S/c1-34-27(33)22-14-15-23-24(19-22)29-28(30(26(23)32)17-16-20-9-4-2-5-10-20)35-18-8-13-25(31)21-11-6-3-7-12-21/h2-7,9-12,14-15,19H,8,13,16-18H2,1H3