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

Systemtic Name: 3,6-bis(chloranyl)-N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(2-methoxy-4-nitro-phenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C17H11Cl2N3O4S2 MolecularWeight: 456.32294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H11Cl2N3O4S2/c1-26-12-7-9(22(24)25)3-5-11(12)20-17(27)21-16(23)15-14(19)10-4-2-8(18)6-13(10)28-15/h2-7H,1H3,(H2,20,21,23,27)