5-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-N-cyclopropyl-6H-1,3,4-thiadiazin-2-amine

Systemtic Name: 5-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-N-cyclopropyl-6H-1,3,4-thiadiazin-2-amine Openeye Name: 5-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-N-cyclopropyl-6H-1,3,4-thiadiazin-2-amine CAS Name: 5-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-N-cyclopropyl-6H-1,3,4-thiadiazin-2-amine IUPAC Name: 5-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-N-cyclopropyl-6H-1,3,4-thiadiazin-2-amine Traditional Name: cyclopropyl-[5-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)-6H-1,3,4-thiadiazin-2-yl]amine Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C4=NN=C(SC4)NC5CC5

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C4=NN=C(SC4)NC5CC5

InChI

InChI=1S/C20H22N4O2S/c1-12-7-16(17-10-27-20(23-22-17)21-15-4-5-15)13(2)24(12)9-14-3-6-18-19(8-14)26-11-25-18/h3,6-8,15H,4-5,9-11H2,1-2H3,(H,21,23)