N-cyclopentyl-2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]ethanamide

Systemtic Name: N-cyclopentyl-2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]ethanamide Openeye Name: N-cyclopentyl-2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanylbenzimidazol-1-yl]acetamide CAS Name: N-cyclopentyl-2-[2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-1-benzimidazolyl]acetamide IUPAC Name: N-cyclopentyl-2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide Traditional Name: N-cyclopentyl-2-[2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]benzimidazol-1-yl]acetamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CN2C3=CC=CC=C3N=C2SCC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCC(C1)NC(=O)CN2C3=CC=CC=C3N=C2SCC(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H28N4O2S/c30-23(26-20-9-3-4-10-20)16-29-22-12-6-5-11-21(22)27-25(29)32-17-24(31)28-14-13-18-7-1-2-8-19(18)15-28/h1-2,5-8,11-12,20H,3-4,9-10,13-17H2,(H,26,30)