3-chloranyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[4-(1-piperidylsulfonyl)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(4-piperidinosulfonylphenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C21H20ClN3O3S3 MolecularWeight: 494.0498

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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=CC=CC=C4S3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O3S3/c22-18-16-6-2-3-7-17(16)30-19(18)20(26)24-21(29)23-14-8-10-15(11-9-14)31(27,28)25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-13H2,(H2,23,24,26,29)