3,6-bis(chloranyl)-N-[[4-(thiophen-2-ylcarbonylamino)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[[4-(thiophen-2-ylcarbonylamino)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[[4-(thiophene-2-carbonylamino)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[4-[[oxo(thiophen-2-yl)methyl]amino]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[[4-(thiophene-2-carbonylamino)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[[4-(2-thenoylamino)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C21H13Cl2N3O2S3 MolecularWeight: 506.44782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

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