1-[(4-bromophenyl)methyl]-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[(4-bromophenyl)methyl]-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(4-bromophenyl)methyl]-3-(4-methoxyphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(4-bromophenyl)methyl]-3-(4-methoxyphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(4-bromophenyl)methyl]-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(4-bromobenzyl)-3-(4-methoxyphenyl)-1-(3-pyridylmethyl)thiourea Formula: C21H20BrN3OS MolecularWeight: 442.372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)Br)CC3=CN=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)Br)CC3=CN=CC=C3

InChI

InChI=1S/C21H20BrN3OS/c1-26-20-10-8-19(9-11-20)24-21(27)25(15-17-3-2-12-23-13-17)14-16-4-6-18(22)7-5-16/h2-13H,14-15H2,1H3,(H,24,27)