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

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-1-[(2-chlorophenyl)methyl]-1-(pyridin-1-ium-3-ylmethyl)thiourea Openeye Name: 3-(3-chloro-4-methyl-phenyl)-1-[(2-chlorophenyl)methyl]-1-(pyridin-1-ium-3-ylmethyl)thiourea CAS Name: 3-(3-chloro-4-methylphenyl)-1-[(2-chlorophenyl)methyl]-1-(3-pyridin-1-iumylmethyl)thiourea IUPAC Name: 3-(3-chloro-4-methylphenyl)-1-[(2-chlorophenyl)methyl]-1-(pyridin-1-ium-3-ylmethyl)thiourea Traditional Name: 1-(2-chlorobenzyl)-3-(3-chloro-4-methyl-phenyl)-1-(pyridin-1-ium-3-ylmethyl)thiourea Formula: C21H20Cl2N3S+ MolecularWeight: 417.3746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(CC2=C[NH+]=CC=C2)CC3=CC=CC=C3Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(CC2=C[NH+]=CC=C2)CC3=CC=CC=C3Cl)Cl

InChI

InChI=1S/C21H19Cl2N3S/c1-15-8-9-18(11-20(15)23)25-21(27)26(13-16-5-4-10-24-12-16)14-17-6-2-3-7-19(17)22/h2-12H,13-14H2,1H3,(H,25,27)/p+1