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

Systemtic Name: 3-chloranyl-N-[(4-ethoxyphenyl)-(4-oxidanylbutyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(4-ethoxyphenyl)-(4-hydroxybutyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-ethoxy-N-(4-hydroxybutyl)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(4-ethoxyphenyl)-(4-hydroxybutyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-hydroxybutyl(p-phenetyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C22H23ClN2O3S2 MolecularWeight: 463.01262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCCCO)C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCCCO)C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C22H23ClN2O3S2/c1-2-28-16-11-9-15(10-12-16)25(13-5-6-14-26)22(29)24-21(27)20-19(23)17-7-3-4-8-18(17)30-20/h3-4,7-12,26H,2,5-6,13-14H2,1H3,(H,24,27,29)