2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)acetamide CAS Name: 2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-N-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-oxomethyl]acetamide IUPAC Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)acetamide Traditional Name: 2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)acetamide Formula: C22H28N6O4S MolecularWeight: 472.56052

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)NC(=O)NCC4COC5=CC=CC=C5O4

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)NC(=O)NCC4COC5=CC=CC=C5O4

InChI

InChI=1S/C22H28N6O4S/c29-19(24-20(30)23-12-16-13-31-17-6-2-3-7-18(17)32-16)14-33-22-26-25-21(28(22)15-8-9-15)27-10-4-1-5-11-27/h2-3,6-7,15-16H,1,4-5,8-14H2,(H2,23,24,29,30)