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

Systemtic Name: 3-chloranyl-N-[(hexanoylamino)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(hexanoylamino)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(hexanoylamino)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(caproylamino)thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C16H18ClN3O2S2 MolecularWeight: 383.91602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NNC(=S)NC(=O)C1=C(C2=CC=CC=C2S1)Cl

Isomeric SMILES

CCCCCC(=O)NNC(=S)NC(=O)C1=C(C2=CC=CC=C2S1)Cl

InChI

InChI=1S/C16H18ClN3O2S2/c1-2-3-4-9-12(21)19-20-16(23)18-15(22)14-13(17)10-7-5-6-8-11(10)24-14/h5-8H,2-4,9H2,1H3,(H,19,21)(H2,18,20,22,23)