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

Systemtic Name: N-[(2-ethoxyphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(2-ethoxyphenyl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[(2-ethoxyanilino)-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(2-ethoxyphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: 4-morpholino-3-nitro-N-(o-phenetylthiocarbamoyl)benzamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5S/c1-2-29-18-6-4-3-5-15(18)21-20(30)22-19(25)14-7-8-16(17(13-14)24(26)27)23-9-11-28-12-10-23/h3-8,13H,2,9-12H2,1H3,(H2,21,22,25,30)