3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]propanoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]propionic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)OCCCN2C3=CC=CC=C3NC2=O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)OCCCN2C3=CC=CC=C3NC2=O

InChI

InChI=1S/C22H25N3O4S/c1-15-8-10-17(11-9-15)23-20(26)14-30-16(2)21(27)29-13-5-12-25-19-7-4-3-6-18(19)24-22(25)28/h3-4,6-11,16H,5,12-14H2,1-2H3,(H,23,26)(H,24,28)