3-chloranyl-N-[(2,4-dimethylphenyl)-(4-oxidanylbutyl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(2,4-dimethylphenyl)-(4-oxidanylbutyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(2,4-dimethylphenyl)-(4-hydroxybutyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[N-(4-hydroxybutyl)-2,4-dimethylanilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(2,4-dimethylphenyl)-(4-hydroxybutyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(2,4-dimethylphenyl)-(4-hydroxybutyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C22H23ClN2O2S2 MolecularWeight: 447.01322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CCCCO)C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(CCCCO)C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C

InChI

InChI=1S/C22H23ClN2O2S2/c1-14-9-10-17(15(2)13-14)25(11-5-6-12-26)22(28)24-21(27)20-19(23)16-7-3-4-8-18(16)29-20/h3-4,7-10,13,26H,5-6,11-12H2,1-2H3,(H,24,27,28)