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

Systemtic Name: N-[(2-ethylphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(2-ethylphenyl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[(2-ethylanilino)-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(2-ethylphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(2-ethylphenyl)thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S/c1-2-14-5-3-4-6-16(14)21-20(29)22-19(25)15-7-8-17(18(13-15)24(26)27)23-9-11-28-12-10-23/h3-8,13H,2,9-12H2,1H3,(H2,21,22,25,29)