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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-3-(phenylmethyl)imidazolidin-3-ium-1-carbothioamide Openeye Name: 3-benzyl-N-(3-chloro-4-methoxy-phenyl)imidazolidin-3-ium-1-carbothioamide CAS Name: N-(3-chloro-4-methoxyphenyl)-3-(phenylmethyl)-1-imidazolidin-3-iumcarbothioamide IUPAC Name: 3-benzyl-N-(3-chloro-4-methoxyphenyl)imidazolidin-3-ium-1-carbothioamide Traditional Name: 3-benzyl-N-(3-chloro-4-methoxy-phenyl)imidazolidin-3-ium-1-carbothioamide Formula: C18H21ClN3OS+ MolecularWeight: 362.89684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)N2CC[NH+](C2)CC3=CC=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)N2CC[NH+](C2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C18H20ClN3OS/c1-23-17-8-7-15(11-16(17)19)20-18(24)22-10-9-21(13-22)12-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3,(H,20,24)/p+1