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

Systemtic Name: N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]amino]-2-oxidanylidene-ethyl]-3-methyl-benzamide Openeye Name: N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]amino]-2-oxo-ethyl]-3-methyl-benzamide CAS Name: N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]amino]-2-oxoethyl]-3-methylbenzamide IUPAC Name: N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]amino]-2-oxoethyl]-3-methylbenzamide Traditional Name: N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]amino]-2-keto-ethyl]-3-methyl-benzamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S/c1-14-6-5-7-15(12-14)21(27)22-13-19(26)23-18(10-11-28-2)20-24-16-8-3-4-9-17(16)25-20/h3-9,12,18H,10-11,13H2,1-2H3,(H,22,27)(H,23,26)(H,24,25)/t18-/m0/s1