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

Systemtic Name: 3-chloranyl-6-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-methoxy-N-[(4-morpholinosulfonylphenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-methoxy-N-[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-methoxy-N-[(4-morpholinosulfonylphenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C21H20ClN3O5S3 MolecularWeight: 526.0486

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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)N4CCOCC4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)Cl

InChI

InChI=1S/C21H20ClN3O5S3/c1-29-14-4-7-16-17(12-14)32-19(18(16)22)20(26)24-21(31)23-13-2-5-15(6-3-13)33(27,28)25-8-10-30-11-9-25/h2-7,12H,8-11H2,1H3,(H2,23,24,26,31)