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

Systemtic Name: N-[(4-morpholin-4-ylphenyl)carbamothioyl]-4-nitro-benzamide Openeye Name: N-[(4-morpholinophenyl)carbamothioyl]-4-nitro-benzamide CAS Name: N-[[4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[(4-morpholin-4-ylphenyl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[(4-morpholinophenyl)thiocarbamoyl]-4-nitro-benzamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S/c23-17(13-1-5-16(6-2-13)22(24)25)20-18(27)19-14-3-7-15(8-4-14)21-9-11-26-12-10-21/h1-8H,9-12H2,(H2,19,20,23,27)