N-(2-chloranyl-4-methyl-phenyl)-3-(phenylmethyl)imidazolidin-3-ium-1-carbothioamide

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-3-(phenylmethyl)imidazolidin-3-ium-1-carbothioamide Openeye Name: 3-benzyl-N-(2-chloro-4-methyl-phenyl)imidazolidin-3-ium-1-carbothioamide CAS Name: N-(2-chloro-4-methylphenyl)-3-(phenylmethyl)-1-imidazolidin-3-iumcarbothioamide IUPAC Name: 3-benzyl-N-(2-chloro-4-methylphenyl)imidazolidin-3-ium-1-carbothioamide Traditional Name: 3-benzyl-N-(2-chloro-4-methyl-phenyl)imidazolidin-3-ium-1-carbothioamide Formula: C18H21ClN3S+ MolecularWeight: 346.89744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N2CC[NH+](C2)CC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N2CC[NH+](C2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C18H20ClN3S/c1-14-7-8-17(16(19)11-14)20-18(23)22-10-9-21(13-22)12-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,20,23)/p+1