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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

C1COCCN1C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

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