1-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)-1-(pyridin-1-ium-2-ylmethyl)thiourea

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)-1-(pyridin-1-ium-2-ylmethyl)thiourea Openeye Name: 1-[(2-chlorophenyl)methyl]-3-(p-tolyl)-1-(pyridin-1-ium-2-ylmethyl)thiourea CAS Name: 1-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)-1-(2-pyridin-1-iumylmethyl)thiourea IUPAC Name: 1-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)-1-(pyridin-1-ium-2-ylmethyl)thiourea Traditional Name: 1-(2-chlorobenzyl)-3-(p-tolyl)-1-(pyridin-1-ium-2-ylmethyl)thiourea Formula: C21H21ClN3S+ MolecularWeight: 382.92954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2Cl)CC3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2Cl)CC3=CC=CC=[NH+]3

InChI

InChI=1S/C21H20ClN3S/c1-16-9-11-18(12-10-16)24-21(26)25(15-19-7-4-5-13-23-19)14-17-6-2-3-8-20(17)22/h2-13H,14-15H2,1H3,(H,24,26)/p+1