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

Systemtic Name: 3-chloranyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(4-pyrrolidinosulfonylphenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C20H18ClN3O3S3 MolecularWeight: 480.02322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H18ClN3O3S3/c21-17-15-5-1-2-6-16(15)29-18(17)19(25)23-20(28)22-13-7-9-14(10-8-13)30(26,27)24-11-3-4-12-24/h1-2,5-10H,3-4,11-12H2,(H2,22,23,25,28)