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

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3-(3-methoxyphenyl)-1-(pyridin-1-ium-3-ylmethyl)thiourea Openeye Name: 1-[(2-chlorophenyl)methyl]-3-(3-methoxyphenyl)-1-(pyridin-1-ium-3-ylmethyl)thiourea CAS Name: 1-[(2-chlorophenyl)methyl]-3-(3-methoxyphenyl)-1-(3-pyridin-1-iumylmethyl)thiourea IUPAC Name: 1-[(2-chlorophenyl)methyl]-3-(3-methoxyphenyl)-1-(pyridin-1-ium-3-ylmethyl)thiourea Traditional Name: 1-(2-chlorobenzyl)-3-(3-methoxyphenyl)-1-(pyridin-1-ium-3-ylmethyl)thiourea Formula: C21H21ClN3OS+ MolecularWeight: 398.92894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N(CC2=C[NH+]=CC=C2)CC3=CC=CC=C3Cl

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N(CC2=C[NH+]=CC=C2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H20ClN3OS/c1-26-19-9-4-8-18(12-19)24-21(27)25(14-16-6-5-11-23-13-16)15-17-7-2-3-10-20(17)22/h2-13H,14-15H2,1H3,(H,24,27)/p+1