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

Systemtic Name: N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(4-morpholinophenyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[[4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(4-morpholinophenyl)thiocarbamoyl]-3-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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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