3-chloranyl-N-[(3-hexoxyphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(3-hexoxyphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(3-hexoxyphenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(3-hexoxyanilino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(3-hexoxyphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(3-hexoxyphenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C22H23ClN2O2S2 MolecularWeight: 447.01322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C22H23ClN2O2S2/c1-2-3-4-7-13-27-16-10-8-9-15(14-16)24-22(28)25-21(26)20-19(23)17-11-5-6-12-18(17)29-20/h5-6,8-12,14H,2-4,7,13H2,1H3,(H2,24,25,26,28)