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

Systemtic Name: 3-chloranyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Openeye Name: 3-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide CAS Name: 3-chloro-N-[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Traditional Name: 3-chloro-N-[(4-pyrrolidinosulfonylphenyl)thiocarbamoyl]benzamide Formula: C18H18ClN3O3S2 MolecularWeight: 423.93682

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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(=CC=C3)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H18ClN3O3S2/c19-14-5-3-4-13(12-14)17(23)21-18(26)20-15-6-8-16(9-7-15)27(24,25)22-10-1-2-11-22/h3-9,12H,1-2,10-11H2,(H2,20,21,23,26)