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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NC3=CC(=CC=C3)SC

InChI

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