N-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbamothioyl]cyclohexanecarboxamide

Systemtic Name: N-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbamothioyl]cyclohexanecarboxamide Openeye Name: N-[(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)carbamothioyl]cyclohexanecarboxamide CAS Name: N-[[2-chloro-5-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]cyclohexanecarboxamide IUPAC Name: N-[(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]cyclohexanecarboxamide Traditional Name: N-[(2-chloro-5-pyrrolidinosulfonyl-phenyl)thiocarbamoyl]cyclohexanecarboxamide Formula: C18H24ClN3O3S2 MolecularWeight: 429.98446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

C1CCC(CC1)C(=O)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C18H24ClN3O3S2/c19-15-9-8-14(27(24,25)22-10-4-5-11-22)12-16(15)20-18(26)21-17(23)13-6-2-1-3-7-13/h8-9,12-13H,1-7,10-11H2,(H2,20,21,23,26)