3,6-bis(chloranyl)-N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[(3-chloro-4-morpholino-phenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[3-chloro-4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(3-chloro-4-morpholino-phenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C20H16Cl3N3O2S2 MolecularWeight: 500.84894

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)Cl

InChI

InChI=1S/C20H16Cl3N3O2S2/c21-11-1-3-13-16(9-11)30-18(17(13)23)19(27)25-20(29)24-12-2-4-15(14(22)10-12)26-5-7-28-8-6-26/h1-4,9-10H,5-8H2,(H2,24,25,27,29)