7-chloranyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]thieno[2,3-f][1,3]benzodioxole-6-carboxamide

Systemtic Name: 7-chloranyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]thieno[2,3-f][1,3]benzodioxole-6-carboxamide Openeye Name: 7-chloro-N-[[4-(1-piperidylsulfonyl)phenyl]carbamothioyl]thieno[2,3-f][1,3]benzodioxole-6-carboxamide CAS Name: 7-chloro-N-[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]-6-thieno[2,3-f][1,3]benzodioxolecarboxamide IUPAC Name: 7-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]thieno[2,3-f][1,3]benzodioxole-6-carboxamide Traditional Name: 7-chloro-N-[(4-piperidinosulfonylphenyl)thiocarbamoyl]thieno[2,3-f][1,3]benzodioxole-6-carboxamide Formula: C22H20ClN3O5S3 MolecularWeight: 538.0593

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC5=C(C=C4S3)OCO5)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC5=C(C=C4S3)OCO5)Cl

InChI

InChI=1S/C22H20ClN3O5S3/c23-19-15-10-16-17(31-12-30-16)11-18(15)33-20(19)21(27)25-22(32)24-13-4-6-14(7-5-13)34(28,29)26-8-2-1-3-9-26/h4-7,10-11H,1-3,8-9,12H2,(H2,24,25,27,32)