N-[5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-N-cyclopropyl-propanamide

Systemtic Name: N-[5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-N-cyclopropyl-propanamide Openeye Name: N-[5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-N-cyclopropyl-propanamide CAS Name: N-[5-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-N-cyclopropylpropanamide IUPAC Name: N-[5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-N-cyclopropylpropanamide Traditional Name: N-cyclopropyl-N-[5-[[2-keto-2-(piperonylamino)ethyl]thio]-1,3,4-thiadiazol-2-yl]propionamide Formula: C18H20N4O4S2 MolecularWeight: 420.5058

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1CC1)C2=NN=C(S2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC(=O)N(C1CC1)C2=NN=C(S2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H20N4O4S2/c1-2-16(24)22(12-4-5-12)17-20-21-18(28-17)27-9-15(23)19-8-11-3-6-13-14(7-11)26-10-25-13/h3,6-7,12H,2,4-5,8-10H2,1H3,(H,19,23)