N-[3-[(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-methyl-amino]propyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-[(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-methyl-amino]propyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-[(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-methyl-amino]propyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[[3-(1-imidazolyl)-1,2,4-thiadiazol-5-yl]-methylamino]propyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-[(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-methylamino]propyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-methyl-amino]propyl]-piperonylamide Formula: C17H18N6O3S MolecularWeight: 386.42822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6O3S/c1-22(17-20-16(21-27-17)23-8-6-18-10-23)7-2-5-19-15(24)12-3-4-13-14(9-12)26-11-25-13/h3-4,6,8-10H,2,5,7,11H2,1H3,(H,19,24)