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

Systemtic Name: 1-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]-1-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-3-methyl-urea Openeye Name: 1-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]-1-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-3-methyl-urea CAS Name: 1-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]-1-[3-(1-imidazolyl)-1,2,4-thiadiazol-5-yl]-3-methylurea IUPAC Name: 1-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]-1-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-3-methylurea Traditional Name: 1-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-3-methyl-1-[3-(piperonylamino)propyl]urea Formula: C18H21N7O3S MolecularWeight: 415.46944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N7O3S/c1-19-17(26)25(18-22-16(23-29-18)24-8-6-21-11-24)7-2-5-20-10-13-3-4-14-15(9-13)28-12-27-14/h3-4,6,8-9,11,20H,2,5,7,10,12H2,1H3,(H,19,26)