N-[(4-butan-2-ylphenyl)carbamothioyl]-3,6-bis(chloranyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(4-butan-2-ylphenyl)carbamothioyl]-3,6-bis(chloranyl)-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[(4-sec-butylphenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: N-[(4-butan-2-ylanilino)-sulfanylidenemethyl]-3,6-dichloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(4-butan-2-ylphenyl)carbamothioyl]-3,6-dichloro-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(4-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=C(C=C1)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

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