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

Systemtic Name: N-[(2-ethyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(2-ethyltetrazol-5-yl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[(2-ethyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(2-ethyltetrazol-5-yl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(2-ethyltetrazol-5-yl)thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C15H18N8O4S MolecularWeight: 406.41962

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Descriptors Computed from Structure

Canonical SMILES:

CCN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C15H18N8O4S/c1-2-22-19-14(18-20-22)17-15(28)16-13(24)10-3-4-11(12(9-10)23(25)26)21-5-7-27-8-6-21/h3-4,9H,2,5-8H2,1H3,(H2,16,17,19,24,28)