3-(1-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)-N-(2-prop-2-enylsulfanylphenyl)propanamide

Systemtic Name: 3-(1-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)-N-(2-prop-2-enylsulfanylphenyl)propanamide Openeye Name: N-(2-allylsulfanylphenyl)-3-[1-methyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]propanamide CAS Name: 3-[1-methyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]-N-[2-(prop-2-enylthio)phenyl]propanamide IUPAC Name: 3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(2-prop-2-enylsulfanylphenyl)propanamide Traditional Name: N-[2-(allylthio)phenyl]-3-(1-methyl-5-piperidinosulfonyl-benzimidazol-2-yl)propionamide Formula: C25H30N4O3S2 MolecularWeight: 498.6607

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CCC(=O)NC4=CC=CC=C4SCC=C

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CCC(=O)NC4=CC=CC=C4SCC=C

InChI

InChI=1S/C25H30N4O3S2/c1-3-17-33-23-10-6-5-9-20(23)27-25(30)14-13-24-26-21-18-19(11-12-22(21)28(24)2)34(31,32)29-15-7-4-8-16-29/h3,5-6,9-12,18H,1,4,7-8,13-17H2,2H3,(H,27,30)