3,5-bis(chloranyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide

Systemtic Name: 3,5-bis(chloranyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Openeye Name: 3,5-dichloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide CAS Name: 3,5-dichloro-N-[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dichloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Traditional Name: 3,5-dichloro-N-[(4-pyrrolidinosulfonylphenyl)thiocarbamoyl]benzamide Formula: C18H17Cl2N3O3S2 MolecularWeight: 458.38188

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H17Cl2N3O3S2/c19-13-9-12(10-14(20)11-13)17(24)22-18(27)21-15-3-5-16(6-4-15)28(25,26)23-7-1-2-8-23/h3-6,9-11H,1-2,7-8H2,(H2,21,22,24,27)