N-phenyl-1,3-di(propan-2-yl)imidazol-1-ium-2-carbothioamide

Systemtic Name: N-phenyl-1,3-di(propan-2-yl)imidazol-1-ium-2-carbothioamide Openeye Name: 1,3-diisopropyl-N-phenyl-imidazol-1-ium-2-carbothioamide CAS Name: N-phenyl-1,3-di(propan-2-yl)-2-imidazol-1-iumcarbothioamide IUPAC Name: N-phenyl-1,3-di(propan-2-yl)imidazol-1-ium-2-carbothioamide Traditional Name: 1,3-diisopropyl-N-phenyl-imidazol-1-ium-2-carbothioamide Formula: C16H22N3S+ MolecularWeight: 288.43098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C[N+](=C1C(=S)NC2=CC=CC=C2)C(C)C

Isomeric SMILES

CC(C)N1C=C[N+](=C1C(=S)NC2=CC=CC=C2)C(C)C

InChI

InChI=1S/C16H21N3S/c1-12(2)18-10-11-19(13(3)4)16(18)15(20)17-14-8-6-5-7-9-14/h5-13H,1-4H3/p+1