N-[(5-butan-2-yl-2-oxidanyl-phenyl)carbamothioyl]-3,6-bis(chloranyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(5-butan-2-yl-2-oxidanyl-phenyl)carbamothioyl]-3,6-bis(chloranyl)-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[(2-hydroxy-5-sec-butyl-phenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: N-[(5-butan-2-yl-2-hydroxyanilino)-sulfanylidenemethyl]-3,6-dichloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-3,6-dichloro-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(2-hydroxy-5-sec-butyl-phenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C20H18Cl2N2O2S2 MolecularWeight: 453.40512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18Cl2N2O2S2/c1-3-10(2)11-4-7-15(25)14(8-11)23-20(27)24-19(26)18-17(22)13-6-5-12(21)9-16(13)28-18/h4-10,25H,3H2,1-2H3,(H2,23,24,26,27)