3-(4-ethylphenyl)-1-[(4-methylphenyl)methyl]-1-(pyridin-1-ium-3-ylmethyl)thiourea

Systemtic Name: 3-(4-ethylphenyl)-1-[(4-methylphenyl)methyl]-1-(pyridin-1-ium-3-ylmethyl)thiourea Openeye Name: 3-(4-ethylphenyl)-1-(p-tolylmethyl)-1-(pyridin-1-ium-3-ylmethyl)thiourea CAS Name: 3-(4-ethylphenyl)-1-[(4-methylphenyl)methyl]-1-(3-pyridin-1-iumylmethyl)thiourea IUPAC Name: 3-(4-ethylphenyl)-1-[(4-methylphenyl)methyl]-1-(pyridin-1-ium-3-ylmethyl)thiourea Traditional Name: 3-(4-ethylphenyl)-1-(4-methylbenzyl)-1-(pyridin-1-ium-3-ylmethyl)thiourea Formula: C23H26N3S+ MolecularWeight: 376.53764

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)C)CC3=C[NH+]=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)C)CC3=C[NH+]=CC=C3

InChI

InChI=1S/C23H25N3S/c1-3-19-10-12-22(13-11-19)25-23(27)26(17-21-5-4-14-24-15-21)16-20-8-6-18(2)7-9-20/h4-15H,3,16-17H2,1-2H3,(H,25,27)/p+1