N-[4-[2-(4-bromophenyl)propylcarbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[4-[2-(4-bromophenyl)propylcarbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[4-[2-(4-bromophenyl)propylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide CAS Name: N-[4-[[[2-(4-bromophenyl)propylamino]-sulfanylidenemethyl]amino]phenyl]-4-thiadiazolecarboxamide IUPAC Name: N-[4-[2-(4-bromophenyl)propylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide Traditional Name: N-[4-[2-(4-bromophenyl)propylthiocarbamoylamino]phenyl]thiadiazole-4-carboxamide Formula: C19H18BrN5OS2 MolecularWeight: 476.41312

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=S)NC1=CC=C(C=C1)NC(=O)C2=CSN=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(CNC(=S)NC1=CC=C(C=C1)NC(=O)C2=CSN=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H18BrN5OS2/c1-12(13-2-4-14(20)5-3-13)10-21-19(27)23-16-8-6-15(7-9-16)22-18(26)17-11-28-25-24-17/h2-9,11-12H,10H2,1H3,(H,22,26)(H2,21,23,27)