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

Systemtic Name: 3,6-bis(chloranyl)-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[(2-methyl-4-nitroanilino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(2-methyl-4-nitrophenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(2-methyl-4-nitro-phenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C17H11Cl2N3O3S2 MolecularWeight: 440.32354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=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/C17H11Cl2N3O3S2/c1-8-6-10(22(24)25)3-5-12(8)20-17(26)21-16(23)15-14(19)11-4-2-9(18)7-13(11)27-15/h2-7H,1H3,(H2,20,21,23,26)