N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]amino]-3-oxidanylidene-propyl]-2-methoxy-benzamide

Systemtic Name: N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]amino]-3-oxidanylidene-propyl]-2-methoxy-benzamide Openeye Name: N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]amino]-3-oxo-propyl]-2-methoxy-benzamide CAS Name: N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]amino]-3-oxopropyl]-2-methoxybenzamide IUPAC Name: N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]amino]-3-oxopropyl]-2-methoxybenzamide Traditional Name: N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]amino]-3-keto-propyl]-2-methoxy-benzamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCCC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCCC(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C22H26N4O3S/c1-29-19-10-6-3-7-15(19)22(28)23-13-11-20(27)24-18(12-14-30-2)21-25-16-8-4-5-9-17(16)26-21/h3-10,18H,11-14H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/t18-/m0/s1