N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]amino]-2-oxidanylidene-ethyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]amino]-2-oxidanylidene-ethyl]-3,5-dimethyl-benzamide Openeye Name: N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]amino]-2-oxo-ethyl]-3,5-dimethyl-benzamide CAS Name: N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide IUPAC Name: N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide Traditional Name: N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]amino]-2-keto-ethyl]-3,5-dimethyl-benzamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCC(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2)C

InChI

InChI=1S/C22H26N4O2S/c1-14-10-15(2)12-16(11-14)22(28)23-13-20(27)24-19(8-9-29-3)21-25-17-6-4-5-7-18(17)26-21/h4-7,10-12,19H,8-9,13H2,1-3H3,(H,23,28)(H,24,27)(H,25,26)/t19-/m0/s1