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

Systemtic Name: 3-(4-bromophenyl)-1-[(4-ethylphenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(4-bromophenyl)-1-[(4-ethylphenyl)methyl]-1-(3-pyridylmethyl)thiourea CAS Name: 3-(4-bromophenyl)-1-[(4-ethylphenyl)methyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(4-bromophenyl)-1-[(4-ethylphenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(4-bromophenyl)-1-(4-ethylbenzyl)-1-(3-pyridylmethyl)thiourea Formula: C22H22BrN3S MolecularWeight: 440.39918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NC3=CC=C(C=C3)Br

Isomeric SMILES

CCC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H22BrN3S/c1-2-17-5-7-18(8-6-17)15-26(16-19-4-3-13-24-14-19)22(27)25-21-11-9-20(23)10-12-21/h3-14H,2,15-16H2,1H3,(H,25,27)