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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-4-bromanyl-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-4-bromo-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-4-bromobenzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-4-bromobenzamide Traditional Name: 4-bromo-N-[5-(piperonylamino)-1,3,4-thiadiazol-2-yl]benzamide Formula: C17H13BrN4O3S MolecularWeight: 433.27912

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN4O3S/c18-12-4-2-11(3-5-12)15(23)20-17-22-21-16(26-17)19-8-10-1-6-13-14(7-10)25-9-24-13/h1-7H,8-9H2,(H,19,21)(H,20,22,23)