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

Systemtic Name: 1-[(4-methylphenyl)methyl]-3-(3-methylsulfanylphenyl)-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 3-(3-methylsulfanylphenyl)-1-(p-tolylmethyl)-1-(2-pyridylmethyl)thiourea CAS Name: 1-[(4-methylphenyl)methyl]-3-[3-(methylthio)phenyl]-1-(2-pyridinylmethyl)thiourea IUPAC Name: 1-[(4-methylphenyl)methyl]-3-(3-methylsulfanylphenyl)-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 1-(4-methylbenzyl)-3-[3-(methylthio)phenyl]-1-(2-pyridylmethyl)thiourea Formula: C22H23N3S2 MolecularWeight: 393.56812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2=CC=CC=N2)C(=S)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CC=CC=N2)C(=S)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C22H23N3S2/c1-17-9-11-18(12-10-17)15-25(16-20-6-3-4-13-23-20)22(26)24-19-7-5-8-21(14-19)27-2/h3-14H,15-16H2,1-2H3,(H,24,26)