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

Systemtic Name: 3-chloranyl-N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(3-chloro-4-morpholino-phenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[3-chloro-4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(3-chloro-4-morpholino-phenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C20H17Cl2N3O2S2 MolecularWeight: 466.40388

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)Cl

InChI

InChI=1S/C20H17Cl2N3O2S2/c21-14-11-12(5-6-15(14)25-7-9-27-10-8-25)23-20(28)24-19(26)18-17(22)13-3-1-2-4-16(13)29-18/h1-6,11H,7-10H2,(H2,23,24,26,28)