N-[(3-chloranyl-2-morpholin-4-yl-phenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[(3-chloranyl-2-morpholin-4-yl-phenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[(3-chloro-2-morpholino-phenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[3-chloro-2-(4-morpholinyl)anilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[(3-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[(3-chloro-2-morpholino-phenyl)thiocarbamoyl]piazthiole-5-carboxamide Formula: C18H16ClN5O2S2 MolecularWeight: 433.93494

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC4=NSN=C4C=C3

Isomeric SMILES

C1COCCN1C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC4=NSN=C4C=C3

InChI

InChI=1S/C18H16ClN5O2S2/c19-12-2-1-3-14(16(12)24-6-8-26-9-7-24)20-18(27)21-17(25)11-4-5-13-15(10-11)23-28-22-13/h1-5,10H,6-9H2,(H2,20,21,25,27)