N-(1,3-benzodioxol-5-ylmethyl)-3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine Traditional Name: (3-m-anisyl-1,2,4-thiadiazol-5-yl)-piperonyl-amine Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2=NSC(=N2)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC(=C1)CC2=NSC(=N2)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H17N3O3S/c1-22-14-4-2-3-12(7-14)9-17-20-18(25-21-17)19-10-13-5-6-15-16(8-13)24-11-23-15/h2-8H,9-11H2,1H3,(H,19,20,21)