2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)ethanamide

Systemtic Name: 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)ethanamide Openeye Name: 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide CAS Name: 2-[[1-(2-cyanoethyl)-2-benzimidazolyl]thio]-N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]acetamide IUPAC Name: 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide Traditional Name: 2-[[1-(2-cyanoethyl)benzimidazol-2-yl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)NC(=O)CSC3=NC4=CC=CC=C4N3CCC#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)NC(=O)CSC3=NC4=CC=CC=C4N3CCC#N

InChI

InChI=1S/C21H19N5O4S/c22-8-3-9-26-16-5-2-1-4-15(16)24-21(26)31-13-19(27)25-20(28)23-14-6-7-17-18(12-14)30-11-10-29-17/h1-2,4-7,12H,3,9-11,13H2,(H2,23,25,27,28)