N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C22H23ClN2O3S2 MolecularWeight: 463.01262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)OC

InChI

InChI=1S/C22H23ClN2O3S2/c1-3-4-11-28-16-10-9-14(12-17(16)27-2)13-24-22(29)25-21(26)20-19(23)15-7-5-6-8-18(15)30-20/h5-10,12H,3-4,11,13H2,1-2H3,(H2,24,25,26,29)