N-[(4-butan-2-ylphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[(4-butan-2-ylphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: 2-morpholino-5-nitro-N-[(4-sec-butylphenyl)carbamothioyl]benzamide CAS Name: N-[(4-butan-2-ylanilino)-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(4-butan-2-ylphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: 2-morpholino-5-nitro-N-[(4-sec-butylphenyl)thiocarbamoyl]benzamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C22H26N4O4S/c1-3-15(2)16-4-6-17(7-5-16)23-22(31)24-21(27)19-14-18(26(28)29)8-9-20(19)25-10-12-30-13-11-25/h4-9,14-15H,3,10-13H2,1-2H3,(H2,23,24,27,31)