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

Systemtic Name: 3-chloranyl-6-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-methoxy-N-[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-methoxy-N-[(4-pyrrolidinosulfonylphenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C21H20ClN3O4S3 MolecularWeight: 510.0492

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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)N4CCCC4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)Cl

InChI

InChI=1S/C21H20ClN3O4S3/c1-29-14-6-9-16-17(12-14)31-19(18(16)22)20(26)24-21(30)23-13-4-7-15(8-5-13)32(27,28)25-10-2-3-11-25/h4-9,12H,2-3,10-11H2,1H3,(H2,23,24,26,30)