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

Systemtic Name: N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(4-morpholinosulfonylphenyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(4-morpholinosulfonylphenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C18H18N4O6S2 MolecularWeight: 450.48872

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O6S2/c23-17(13-2-1-3-15(12-13)22(24)25)20-18(29)19-14-4-6-16(7-5-14)30(26,27)21-8-10-28-11-9-21/h1-7,12H,8-11H2,(H2,19,20,23,29)