2-[4-cyano-2-(2-oxidanylideneimidazolidin-1-yl)sulfonyl-phenyl]sulfanyl-N-(2-dimethylaminoethyl)butanamide hydrochloride

Systemtic Name: 2-[4-cyano-2-(2-oxidanylideneimidazolidin-1-yl)sulfonyl-phenyl]sulfanyl-N-(2-dimethylaminoethyl)butanamide hydrochloride Openeye Name: 2-[4-cyano-2-(2-oxoimidazolidin-1-yl)sulfonyl-phenyl]sulfanyl-N-(2-dimethylaminoethyl)butanamide hydrochloride CAS Name: 2-[[4-cyano-2-[(2-oxo-1-imidazolidinyl)sulfonyl]phenyl]thio]-N-(2-dimethylaminoethyl)butanamide hydrochloride IUPAC Name: 2-[4-cyano-2-(2-oxoimidazolidin-1-yl)sulfonylphenyl]sulfanyl-N-(2-dimethylaminoethyl)butanamide hydrochloride Traditional Name: 2-[[4-cyano-2-(2-ketoimidazolidin-1-yl)sulfonyl-phenyl]thio]-N-(2-dimethylaminoethyl)butyramide hydrochloride Formula: C18H26ClN5O4S2 MolecularWeight: 476.01314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCN(C)C)SC1=C(C=C(C=C1)C#N)S(=O)(=O)N2CCNC2=O.Cl

Isomeric SMILES

CCC(C(=O)NCCN(C)C)SC1=C(C=C(C=C1)C#N)S(=O)(=O)N2CCNC2=O.Cl

InChI

InChI=1S/C18H25N5O4S2.ClH/c1-4-14(17(24)20-7-9-22(2)3)28-15-6-5-13(12-19)11-16(15)29(26,27)23-10-8-21-18(23)25;/h5-6,11,14H,4,7-10H2,1-3H3,(H,20,24)(H,21,25);1H