N-[(5-chloranyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[(5-chloranyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(5-chloropiazthiol-4-yl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C18H15ClN6O4S2 MolecularWeight: 478.9325

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=C(C=CC4=NSN=C43)Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=C(C=CC4=NSN=C43)Cl

InChI

InChI=1S/C18H15ClN6O4S2/c19-12-2-3-13-16(23-31-22-13)15(12)20-18(30)21-17(26)11-9-10(25(27)28)1-4-14(11)24-5-7-29-8-6-24/h1-4,9H,5-8H2,(H2,20,21,26,30)