3-chloranyl-6-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-methoxy-N-[[4-(1-piperidylsulfonyl)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-methoxy-N-[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-methoxy-N-[(4-piperidinosulfonylphenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C22H22ClN3O4S3 MolecularWeight: 524.07578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)Cl

InChI

InChI=1S/C22H22ClN3O4S3/c1-30-15-7-10-17-18(13-15)32-20(19(17)23)21(27)25-22(31)24-14-5-8-16(9-6-14)33(28,29)26-11-3-2-4-12-26/h5-10,13H,2-4,11-12H2,1H3,(H2,24,25,27,31)