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

Systemtic Name: 3-chloranyl-N-[[(4-morpholin-4-ylsulfonylphenyl)carbonylamino]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[(4-morpholinosulfonylbenzoyl)amino]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[(4-morpholin-4-ylsulfonylbenzoyl)amino]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[(4-morpholinosulfonylbenzoyl)amino]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C21H19ClN4O5S3 MolecularWeight: 539.04736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O5S3/c22-17-15-3-1-2-4-16(15)33-18(17)20(28)23-21(32)25-24-19(27)13-5-7-14(8-6-13)34(29,30)26-9-11-31-12-10-26/h1-8H,9-12H2,(H,24,27)(H2,23,25,28,32)