methyl 4-oxidanylidene-2-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[(1-phenyl-2-benzimidazolyl)thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[(1-phenylbenzimidazol-2-yl)thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C24H18N4O3S MolecularWeight: 442.48972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NC4=CC=CC=C4N3C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NC4=CC=CC=C4N3C5=CC=CC=C5

InChI

InChI=1S/C24H18N4O3S/c1-31-23(30)15-11-12-17-19(13-15)25-21(27-22(17)29)14-32-24-26-18-9-5-6-10-20(18)28(24)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,25,27,29)