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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-])Cl

InChI

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