3-chloranyl-N-[(2-phenyl-1,3-benzodioxol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(2-phenyl-1,3-benzodioxol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(2-phenyl-1,3-benzodioxol-5-yl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[(2-phenyl-1,3-benzodioxol-5-yl)amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(2-phenyl-1,3-benzodioxol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(2-phenyl-1,3-benzodioxol-5-yl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C23H15ClN2O3S2 MolecularWeight: 466.9598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2OC3=C(O2)C=C(C=C3)NC(=S)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2OC3=C(O2)C=C(C=C3)NC(=S)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C23H15ClN2O3S2/c24-19-15-8-4-5-9-18(15)31-20(19)21(27)26-23(30)25-14-10-11-16-17(12-14)29-22(28-16)13-6-2-1-3-7-13/h1-12,22H,(H2,25,26,27,30)