methyl 6-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanylbenzimidazolo[1,2-c]quinazoline-3-carboxylate

Systemtic Name: methyl 6-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanylbenzimidazolo[1,2-c]quinazoline-3-carboxylate Openeye Name: methyl 6-[2-(benzylamino)-2-oxo-ethyl]sulfanylbenzimidazolo[1,2-c]quinazoline-3-carboxylate CAS Name: 6-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-3-benzimidazolo[1,2-c]quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanylbenzimidazolo[1,2-c]quinazoline-3-carboxylate Traditional Name: 6-[[2-(benzylamino)-2-keto-ethyl]thio]benzimidazolo[1,2-c]quinazoline-3-carboxylic acid methyl ester Formula: C25H20N4O3S MolecularWeight: 456.5163

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C3=NC4=CC=CC=C4N3C(=N2)SCC(=O)NCC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C3=NC4=CC=CC=C4N3C(=N2)SCC(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C25H20N4O3S/c1-32-24(31)17-11-12-18-20(13-17)28-25(29-21-10-6-5-9-19(21)27-23(18)29)33-15-22(30)26-14-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,26,30)