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

Systemtic Name: 4-bromanyl-N-[5-[3-(methyliminomethylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-bromo-N-[5-[3-(methyliminomethylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-bromo-N-[5-[3-(methyliminomethylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-bromo-N-[5-[3-(methyliminomethylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-bromo-N-[5-[3-(methyliminomethylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide Formula: C14H17BrN6OS MolecularWeight: 397.29338

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Descriptors Computed from Structure

Canonical SMILES:

CN=CNCCCNC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CN=CNCCCNC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H17BrN6OS/c1-16-9-17-7-2-8-18-13-20-21-14(23-13)19-12(22)10-3-5-11(15)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,16,17)(H,18,20)(H,19,21,22)