3-(3-methylsulfanylphenyl)-1-(phenylmethyl)-1-(pyridin-1-ium-2-ylmethyl)thiourea

Systemtic Name: 3-(3-methylsulfanylphenyl)-1-(phenylmethyl)-1-(pyridin-1-ium-2-ylmethyl)thiourea Openeye Name: 1-benzyl-3-(3-methylsulfanylphenyl)-1-(pyridin-1-ium-2-ylmethyl)thiourea CAS Name: 3-[3-(methylthio)phenyl]-1-(phenylmethyl)-1-(2-pyridin-1-iumylmethyl)thiourea IUPAC Name: 1-benzyl-3-(3-methylsulfanylphenyl)-1-(pyridin-1-ium-2-ylmethyl)thiourea Traditional Name: 1-benzyl-3-[3-(methylthio)phenyl]-1-(pyridin-1-ium-2-ylmethyl)thiourea Formula: C21H22N3S2+ MolecularWeight: 380.54948

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=[NH+]3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=[NH+]3

InChI

InChI=1S/C21H21N3S2/c1-26-20-12-7-11-18(14-20)23-21(25)24(15-17-8-3-2-4-9-17)16-19-10-5-6-13-22-19/h2-14H,15-16H2,1H3,(H,23,25)/p+1