2-[3-(1,3-benzodioxol-5-ylmethylamino)propyl-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)amino]-N-methyl-ethanamide

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethylamino)propyl-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)amino]-N-methyl-ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethylamino)propyl-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)amino]-N-methyl-acetamide CAS Name: 2-[3-(1,3-benzodioxol-5-ylmethylamino)propyl-[3-(1-imidazolyl)-1,2,4-thiadiazol-5-yl]amino]-N-methylacetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethylamino)propyl-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)amino]-N-methylacetamide Traditional Name: 2-[(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-[3-(piperonylamino)propyl]amino]-N-methyl-acetamide Formula: C19H23N7O3S MolecularWeight: 429.49602

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CN(CCCNCC1=CC2=C(C=C1)OCO2)C3=NC(=NS3)N4C=CN=C4

Isomeric SMILES

CNC(=O)CN(CCCNCC1=CC2=C(C=C1)OCO2)C3=NC(=NS3)N4C=CN=C4

InChI

InChI=1S/C19H23N7O3S/c1-20-17(27)11-25(19-23-18(24-30-19)26-8-6-22-12-26)7-2-5-21-10-14-3-4-15-16(9-14)29-13-28-15/h3-4,6,8-9,12,21H,2,5,7,10-11,13H2,1H3,(H,20,27)