N-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydro-1H-imidazol-3-ium-3-carbothioamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydro-1H-imidazol-3-ium-3-carbothioamide Openeye Name: N-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydro-1H-imidazol-3-ium-3-carbothioamide CAS Name: N-(3,4-dimethylphenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)amino]-4,5-dihydro-1H-imidazol-3-ium-3-carbothioamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydro-1H-imidazol-3-ium-3-carbothioamide Traditional Name: N-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-imidazolin-1-ium-1-carbothioamide Formula: C18H23N6S+ MolecularWeight: 355.48042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)[N+]2=C(NCC2)NC3=NC(=CC(=N3)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)[N+]2=C(NCC2)NC3=NC(=CC(=N3)C)C)C

InChI

InChI=1S/C18H22N6S/c1-11-5-6-15(9-12(11)2)22-18(25)24-8-7-19-17(24)23-16-20-13(3)10-14(4)21-16/h5-6,9-10H,7-8H2,1-4H3,(H2,19,20,21,22,23,25)/p+1