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

Systemtic Name: 3,6-bis(chloranyl)-N-[(4-morpholin-4-ylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[(4-morpholinophenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(4-morpholin-4-ylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(4-morpholinophenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C20H17Cl2N3O2S2 MolecularWeight: 466.40388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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