4-chloranyl-3-nitro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide

Systemtic Name: 4-chloranyl-3-nitro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Openeye Name: 4-chloro-3-nitro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide CAS Name: 4-chloro-3-nitro-N-[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-3-nitro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Traditional Name: 4-chloro-3-nitro-N-[(4-pyrrolidinosulfonylphenyl)thiocarbamoyl]benzamide Formula: C18H17ClN4O5S2 MolecularWeight: 468.93438

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN4O5S2/c19-15-8-3-12(11-16(15)23(25)26)17(24)21-18(29)20-13-4-6-14(7-5-13)30(27,28)22-9-1-2-10-22/h3-8,11H,1-2,9-10H2,(H2,20,21,24,29)