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

Systemtic Name: 3,6-bis(chloranyl)-N-[(2,3-dimethyl-6-nitro-phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[(2,3-dimethyl-6-nitro-phenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[(2,3-dimethyl-6-nitroanilino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(2,3-dimethyl-6-nitrophenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(2,3-dimethyl-6-nitro-phenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C18H13Cl2N3O3S2 MolecularWeight: 454.35012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13Cl2N3O3S2/c1-8-3-6-12(23(25)26)15(9(8)2)21-18(27)22-17(24)16-14(20)11-5-4-10(19)7-13(11)28-16/h3-7H,1-2H3,(H2,21,22,24,27)