3-chloranyl-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(4-isobutoxyphenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-(2-methylpropoxy)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(4-isobutoxyphenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C20H19ClN2O2S2 MolecularWeight: 418.96006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H19ClN2O2S2/c1-12(2)11-25-14-9-7-13(8-10-14)22-20(26)23-19(24)18-17(21)15-5-3-4-6-16(15)27-18/h3-10,12H,11H2,1-2H3,(H2,22,23,24,26)