N-[(4-butan-2-ylphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[(4-butan-2-ylphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: 4-morpholino-3-nitro-N-[(4-sec-butylphenyl)carbamothioyl]benzamide CAS Name: N-[(4-butan-2-ylanilino)-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(4-butan-2-ylphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: 4-morpholino-3-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=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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