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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C22H26N4O4S/c1-2-3-4-16-5-7-17(8-6-16)23-22(31)24-21(27)19-15-18(26(28)29)9-10-20(19)25-11-13-30-14-12-25/h5-10,15H,2-4,11-14H2,1H3,(H2,23,24,27,31)