N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propionamide Formula: C22H28N4O3S2 MolecularWeight: 460.61272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3S2/c1-15-8-9-17(14-16(15)2)31(28,29)23-12-10-21(27)24-20(11-13-30-3)22-25-18-6-4-5-7-19(18)26-22/h4-9,14,20,23H,10-13H2,1-3H3,(H,24,27)(H,25,26)/t20-/m0/s1