1-[(4-bromophenyl)methyl]-3-(2-methoxy-4-methyl-phenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[(4-bromophenyl)methyl]-3-(2-methoxy-4-methyl-phenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(4-bromophenyl)methyl]-3-(2-methoxy-4-methyl-phenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(4-bromophenyl)methyl]-3-(2-methoxy-4-methylphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(4-bromophenyl)methyl]-3-(2-methoxy-4-methylphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(4-bromobenzyl)-3-(2-methoxy-4-methyl-phenyl)-1-(3-pyridylmethyl)thiourea Formula: C22H22BrN3OS MolecularWeight: 456.39858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)Br)CC3=CN=CC=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)Br)CC3=CN=CC=C3)OC

InChI

InChI=1S/C22H22BrN3OS/c1-16-5-10-20(21(12-16)27-2)25-22(28)26(15-18-4-3-11-24-13-18)14-17-6-8-19(23)9-7-17/h3-13H,14-15H2,1-2H3,(H,25,28)