2,5-bis(chloranyl)-N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]benzamide

Systemtic Name: 2,5-bis(chloranyl)-N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]benzamide Openeye Name: 2,5-dichloro-N-[(3-chloro-4-morpholino-phenyl)carbamothioyl]benzamide CAS Name: 2,5-dichloro-N-[[3-chloro-4-(4-morpholinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,5-dichloro-N-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]benzamide Traditional Name: 2,5-dichloro-N-[(3-chloro-4-morpholino-phenyl)thiocarbamoyl]benzamide Formula: C18H16Cl3N3O2S MolecularWeight: 444.76254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16Cl3N3O2S/c19-11-1-3-14(20)13(9-11)17(25)23-18(27)22-12-2-4-16(15(21)10-12)24-5-7-26-8-6-24/h1-4,9-10H,5-8H2,(H2,22,23,25,27)