N-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-4-cyano-benzamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-4-cyano-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-4-cyano-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-4-cyanobenzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-4-cyanobenzamide Traditional Name: 4-cyano-N-[5-(piperonylamino)-1,3,4-thiadiazol-2-yl]benzamide Formula: C18H13N5O3S MolecularWeight: 379.39252

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NN=C(S3)NC(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NN=C(S3)NC(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C18H13N5O3S/c19-8-11-1-4-13(5-2-11)16(24)21-18-23-22-17(27-18)20-9-12-3-6-14-15(7-12)26-10-25-14/h1-7H,9-10H2,(H,20,22)(H,21,23,24)