methyl 4-[[2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanylbenzimidazol-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanylbenzimidazol-1-yl]methyl]benzoate Openeye Name: methyl 4-[[2-[2-(benzylamino)-2-oxo-ethyl]sulfanylbenzimidazol-1-yl]methyl]benzoate CAS Name: 4-[[2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-1-benzimidazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(benzylamino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]methyl]benzoate Traditional Name: 4-[[2-[[2-(benzylamino)-2-keto-ethyl]thio]benzimidazol-1-yl]methyl]benzoic acid methyl ester Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O3S/c1-31-24(30)20-13-11-19(12-14-20)16-28-22-10-6-5-9-21(22)27-25(28)32-17-23(29)26-15-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H,26,29)