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

Systemtic Name: 4-bromanyl-N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-bromo-N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-[5-[[anilino(sulfanylidene)methyl]amino]-1,3,4-thiadiazol-2-yl]-4-bromobenzamide IUPAC Name: 4-bromo-N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-bromo-N-[5-(phenylthiocarbamoylamino)-1,3,4-thiadiazol-2-yl]benzamide Formula: C16H12BrN5OS2 MolecularWeight: 434.33338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H12BrN5OS2/c17-11-8-6-10(7-9-11)13(23)19-15-21-22-16(25-15)20-14(24)18-12-4-2-1-3-5-12/h1-9H,(H,19,21,23)(H2,18,20,22,24)