N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-[(phenylmethyl)sulfonylamino]propanamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-[(phenylmethyl)sulfonylamino]propanamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(benzylsulfonylamino)propanamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-[(phenylmethyl)sulfonylamino]propanamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(benzylsulfonylamino)propanamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(benzylsulfonylamino)propionamide Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCSC)C1=NC2=CC=CC=C2N1)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC(CCSC)C1=NC2=CC=CC=C2N1)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O3S2/c1-15(25-30(27,28)14-16-8-4-3-5-9-16)21(26)24-19(12-13-29-2)20-22-17-10-6-7-11-18(17)23-20/h3-11,15,19,25H,12-14H2,1-2H3,(H,22,23)(H,24,26)