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

Systemtic Name: N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[(5-methyl-2,1,3-benzothiadiazol-4-yl)amino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(5-methylpiazthiol-4-yl)thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C19H18N6O4S2 MolecularWeight: 458.51402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NSN=C2C=C1)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=NSN=C2C=C1)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O4S2/c1-11-2-4-13-17(23-31-22-13)16(11)20-19(30)21-18(26)12-3-5-14(15(10-12)25(27)28)24-6-8-29-9-7-24/h2-5,10H,6-9H2,1H3,(H2,20,21,26,30)