(3-cyclopentyl-4,5-dimethyl-2-sulfanylidene-imidazol-1-yl)methyl-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (3-cyclopentyl-4,5-dimethyl-2-sulfanylidene-imidazol-1-yl)methyl-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (3-cyclopentyl-4,5-dimethyl-2-thioxo-imidazol-1-yl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: (3-cyclopentyl-4,5-dimethyl-2-sulfanylidene-1-imidazolyl)methyl-methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: (3-cyclopentyl-4,5-dimethyl-2-sulfanylideneimidazol-1-yl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: (3-cyclopentyl-4,5-dimethyl-2-thioxo-4-imidazolin-1-yl)methyl-[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-ammonium Formula: C21H31N4OS2+ MolecularWeight: 419.62704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=S)N1C[NH+](C)CC(=O)NC2=CC=CC=C2SC)C3CCCC3)C

Isomeric SMILES

CC1=C(N(C(=S)N1C[NH+](C)CC(=O)NC2=CC=CC=C2SC)C3CCCC3)C

InChI

InChI=1S/C21H30N4OS2/c1-15-16(2)25(17-9-5-6-10-17)21(27)24(15)14-23(3)13-20(26)22-18-11-7-8-12-19(18)28-4/h7-8,11-12,17H,5-6,9-10,13-14H2,1-4H3,(H,22,26)/p+1