N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-4-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide Traditional Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-N-piperonyl-cinchoninamide Formula: C21H16N4O3S2 MolecularWeight: 436.50674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NN=C(S1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H16N4O3S2/c1-12-24-25-21(29-12)30-19-9-15(14-4-2-3-5-16(14)23-19)20(26)22-10-13-6-7-17-18(8-13)28-11-27-17/h2-9H,10-11H2,1H3,(H,22,26)