methyl 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-[(4-chlorophenyl)methyl]-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-[(4-chlorophenyl)methyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-[(4-chlorophenyl)methyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-[(4-chlorophenyl)methyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-[(4-chlorophenyl)methyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-(4-chlorobenzyl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C25H19ClN4O3S MolecularWeight: 490.96136

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4N3)CC5=CC=C(C=C5)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4N3)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H19ClN4O3S/c1-33-24(32)16-8-11-18-21(12-16)29-25(30(23(18)31)13-15-6-9-17(26)10-7-15)34-14-22-27-19-4-2-3-5-20(19)28-22/h2-12H,13-14H2,1H3,(H,27,28)