methyl 4-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanoate Openeye Name: methyl 4-(7-chloro-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanoate CAS Name: 4-[(7-chloro-4-oxo-3-propyl-2-quinazolinyl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanoate Traditional Name: 4-[(7-chloro-4-keto-3-propyl-quinazolin-2-yl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyric acid methyl ester Formula: C23H21ClN4O4S MolecularWeight: 484.95524

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C(=C3NC4=CC=CC=C4N3)C(=O)OC

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C(=C3NC4=CC=CC=C4N3)C(=O)OC

InChI

InChI=1S/C23H21ClN4O4S/c1-3-10-28-21(30)14-9-8-13(24)11-17(14)27-23(28)33-12-18(29)19(22(31)32-2)20-25-15-6-4-5-7-16(15)26-20/h4-9,11,25-26H,3,10,12H2,1-2H3