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

Systemtic Name: N-[(2-butan-2-ylphenyl)carbamothioyl]-3,6-bis(chloranyl)-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[(2-sec-butylphenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: N-[(2-butan-2-ylanilino)-sulfanylidenemethyl]-3,6-dichloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2-butan-2-ylphenyl)carbamothioyl]-3,6-dichloro-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(2-sec-butylphenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C20H18Cl2N2OS2 MolecularWeight: 437.40572

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H18Cl2N2OS2/c1-3-11(2)13-6-4-5-7-15(13)23-20(26)24-19(25)18-17(22)14-9-8-12(21)10-16(14)27-18/h4-11H,3H2,1-2H3,(H2,23,24,25,26)