N-aminocarbonyl-2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: N-aminocarbonyl-2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-propanamide Openeye Name: N-carbamoyl-2-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanyl-propanamide CAS Name: N-carbamoyl-2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]propanamide IUPAC Name: N-carbamoyl-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: N-carbamoyl-2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]propionamide Formula: C18H25N5O4S2 MolecularWeight: 439.5522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SC(C)C(=O)NC(=O)N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SC(C)C(=O)NC(=O)N

InChI

InChI=1S/C18H25N5O4S2/c1-3-23-15-8-7-13(29(26,27)22-9-5-4-6-10-22)11-14(15)20-18(23)28-12(2)16(24)21-17(19)25/h7-8,11-12H,3-6,9-10H2,1-2H3,(H3,19,21,24,25)