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

Systemtic Name: 3,6-bis(chloranyl)-N-[(3-methylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-(m-tolylcarbamothioyl)benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[(3-methylanilino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(3-methylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-(m-tolylthiocarbamoyl)benzothiophene-2-carboxamide Formula: C17H12Cl2N2OS2 MolecularWeight: 395.32598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H12Cl2N2OS2/c1-9-3-2-4-11(7-9)20-17(23)21-16(22)15-14(19)12-6-5-10(18)8-13(12)24-15/h2-8H,1H3,(H2,20,21,22,23)