N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]amino]-2-oxidanylidene-ethyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]amino]-2-oxidanylidene-ethyl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]amino]-2-oxo-ethyl]-3,4-dimethoxy-benzamide CAS Name: N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide Traditional Name: N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]amino]-2-keto-ethyl]-3,4-dimethoxy-benzamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2)OC

InChI

InChI=1S/C22H26N4O4S/c1-29-18-9-8-14(12-19(18)30-2)22(28)23-13-20(27)24-17(10-11-31-3)21-25-15-6-4-5-7-16(15)26-21/h4-9,12,17H,10-11,13H2,1-3H3,(H,23,28)(H,24,27)(H,25,26)/t17-/m0/s1