2-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]benzenecarbothioamide

Systemtic Name: 2-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]benzenecarbothioamide Openeye Name: 2-[(2-isopropyl-1H-imidazol-3-ium-3-yl)methyl]benzenecarbothioamide CAS Name: 2-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]benzenecarbothioamide IUPAC Name: 2-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]benzenecarbothioamide Traditional Name: 2-[(2-isopropyl-1H-imidazol-3-ium-3-yl)methyl]thiobenzamide Formula: C14H18N3S+ MolecularWeight: 260.37782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[N+](C=CN1)CC2=CC=CC=C2C(=S)N

Isomeric SMILES

CC(C)C1=[N+](C=CN1)CC2=CC=CC=C2C(=S)N

InChI

InChI=1S/C14H17N3S/c1-10(2)14-16-7-8-17(14)9-11-5-3-4-6-12(11)13(15)18/h3-8,10H,9H2,1-2H3,(H2,15,18)/p+1