N-[(4-butylphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide

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

Isomeric SMILES

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

InChI

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