3,6-bis(chloranyl)-N-[[3-(thiophen-2-ylcarbonylamino)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[[3-(thiophen-2-ylcarbonylamino)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[[3-(thiophene-2-carbonylamino)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[3-[[oxo(thiophen-2-yl)methyl]amino]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[[3-(thiophene-2-carbonylamino)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[[3-(2-thenoylamino)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C21H13Cl2N3O2S3 MolecularWeight: 506.44782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H13Cl2N3O2S3/c22-11-6-7-14-16(9-11)31-18(17(14)23)20(28)26-21(29)25-13-4-1-3-12(10-13)24-19(27)15-5-2-8-30-15/h1-10H,(H,24,27)(H2,25,26,28,29)