N-[4-[(4-bromanyl-3-chloranyl-phenyl)carbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[4-[(4-bromanyl-3-chloranyl-phenyl)carbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[4-[(4-bromo-3-chloro-phenyl)carbamothioylamino]phenyl]thiadiazole-4-carboxamide CAS Name: N-[4-[[(4-bromo-3-chloroanilino)-sulfanylidenemethyl]amino]phenyl]-4-thiadiazolecarboxamide IUPAC Name: N-[4-[(4-bromo-3-chlorophenyl)carbamothioylamino]phenyl]thiadiazole-4-carboxamide Traditional Name: N-[4-[(4-bromo-3-chloro-phenyl)thiocarbamoylamino]phenyl]thiadiazole-4-carboxamide Formula: C16H11BrClN5OS2 MolecularWeight: 468.77844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CSN=N2)NC(=S)NC3=CC(=C(C=C3)Br)Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CSN=N2)NC(=S)NC3=CC(=C(C=C3)Br)Cl

InChI

InChI=1S/C16H11BrClN5OS2/c17-12-6-5-11(7-13(12)18)21-16(25)20-10-3-1-9(2-4-10)19-15(24)14-8-26-23-22-14/h1-8H,(H,19,24)(H2,20,21,25)