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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11Cl2N3O4S2/c1-26-9-3-5-11(12(7-9)22(24)25)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)