N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-cyclopropyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)thio]-N-piperonyl-acetamide Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)NCC3=CC4=C(C=C3)OCO4)N5CCOCC5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)NCC3=CC4=C(C=C3)OCO4)N5CCOCC5

InChI

InChI=1S/C19H23N5O4S/c25-17(20-10-13-1-4-15-16(9-13)28-12-27-15)11-29-19-22-21-18(24(19)14-2-3-14)23-5-7-26-8-6-23/h1,4,9,14H,2-3,5-8,10-12H2,(H,20,25)