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

Systemtic Name: 3-chloranyl-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(4-morpholinosulfonylphenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(4-morpholinosulfonylphenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C20H18ClN3O4S3 MolecularWeight: 496.02262

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H18ClN3O4S3/c21-17-15-3-1-2-4-16(15)30-18(17)19(25)23-20(29)22-13-5-7-14(8-6-13)31(26,27)24-9-11-28-12-10-24/h1-8H,9-12H2,(H2,22,23,25,29)