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

Systemtic Name: N-[[2-(2-methylpropyl)-1,2,3,4-tetrazol-5-yl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(2-isobutyltetrazol-5-yl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[[2-(2-methylpropyl)-5-tetrazolyl]amino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[2-(2-methylpropyl)tetrazol-5-yl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(2-isobutyltetrazol-5-yl)thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C17H22N8O4S MolecularWeight: 434.47278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N8O4S/c1-11(2)10-24-21-16(20-22-24)19-17(30)18-15(26)12-3-4-13(14(9-12)25(27)28)23-5-7-29-8-6-23/h3-4,9,11H,5-8,10H2,1-2H3,(H2,18,19,21,26,30)