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

Systemtic Name: 4-chloranyl-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(4-morpholinosulfonylphenyl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(4-morpholinosulfonylphenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C18H17ClN4O6S2 MolecularWeight: 484.93378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O6S2/c19-15-6-1-12(11-16(15)23(25)26)17(24)21-18(30)20-13-2-4-14(5-3-13)31(27,28)22-7-9-29-10-8-22/h1-6,11H,7-10H2,(H2,20,21,24,30)