3-chloranyl-N-[(3-phenylpropanoylamino)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(3-phenylpropanoylamino)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(3-phenylpropanoylamino)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(3-phenylpropanoylamino)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(hydrocinnamoylamino)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C19H16ClN3O2S2 MolecularWeight: 417.93224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C19H16ClN3O2S2/c20-16-13-8-4-5-9-14(13)27-17(16)18(25)21-19(26)23-22-15(24)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,22,24)(H2,21,23,25,26)