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

Systemtic Name: 1-[(4-methylphenyl)methyl]-3-(4-phenoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(4-phenoxyphenyl)-1-(p-tolylmethyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(4-methylphenyl)methyl]-3-(4-phenoxyphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(4-methylphenyl)methyl]-3-(4-phenoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(4-methylbenzyl)-3-(4-phenoxyphenyl)-1-(3-pyridylmethyl)thiourea Formula: C27H25N3OS MolecularWeight: 439.5719

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H25N3OS/c1-21-9-11-22(12-10-21)19-30(20-23-6-5-17-28-18-23)27(32)29-24-13-15-26(16-14-24)31-25-7-3-2-4-8-25/h2-18H,19-20H2,1H3,(H,29,32)