1-[(4-tert-butylphenyl)methyl]-3-(2-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-(2-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-(2-ethoxyphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-(2-ethoxyphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-(2-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-o-phenetyl-1-(3-pyridylmethyl)thiourea Formula: C26H31N3OS MolecularWeight: 433.60884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N(CC2=CC=C(C=C2)C(C)(C)C)CC3=CN=CC=C3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N(CC2=CC=C(C=C2)C(C)(C)C)CC3=CN=CC=C3

InChI

InChI=1S/C26H31N3OS/c1-5-30-24-11-7-6-10-23(24)28-25(31)29(19-21-9-8-16-27-17-21)18-20-12-14-22(15-13-20)26(2,3)4/h6-17H,5,18-19H2,1-4H3,(H,28,31)