4-ethoxy-N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[(4-morpholinophenyl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[[4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[(4-morpholinophenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

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