N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-propanamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-[[2-(4-methylanilino)-2-oxoethyl]thio]propanamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-[[2-keto-2-(p-toluidino)ethyl]thio]propionamide Formula: C23H28N4O2S2 MolecularWeight: 456.62402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C23H28N4O2S2/c1-15-8-10-17(11-9-15)24-21(28)14-31-16(2)23(29)27-20(12-13-30-3)22-25-18-6-4-5-7-19(18)26-22/h4-11,16,20H,12-14H2,1-3H3,(H,24,28)(H,25,26)(H,27,29)