(3-cyclopentyl-4,5-dimethyl-2-sulfanylidene-imidazol-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium

Systemtic Name: (3-cyclopentyl-4,5-dimethyl-2-sulfanylidene-imidazol-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium Openeye Name: (3-cyclopentyl-4,5-dimethyl-2-thioxo-imidazol-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium CAS Name: (3-cyclopentyl-4,5-dimethyl-2-sulfanylidene-1-imidazolyl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium IUPAC Name: (3-cyclopentyl-4,5-dimethyl-2-sulfanylideneimidazol-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium Traditional Name: (3-cyclopentyl-4,5-dimethyl-2-thioxo-4-imidazolin-1-yl)methyl-methyl-[4-(methylcarbamoyl)benzyl]ammonium Formula: C21H31N4OS+ MolecularWeight: 387.56204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=S)N1C[NH+](C)CC2=CC=C(C=C2)C(=O)NC)C3CCCC3)C

Isomeric SMILES

CC1=C(N(C(=S)N1C[NH+](C)CC2=CC=C(C=C2)C(=O)NC)C3CCCC3)C

InChI

InChI=1S/C21H30N4OS/c1-15-16(2)25(19-7-5-6-8-19)21(27)24(15)14-23(4)13-17-9-11-18(12-10-17)20(26)22-3/h9-12,19H,5-8,13-14H2,1-4H3,(H,22,26)/p+1