3-[2-(3,4-diethoxyphenyl)ethyl]-1-(phenylmethyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-[2-(3,4-diethoxyphenyl)ethyl]-1-(phenylmethyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-benzyl-3-[2-(3,4-diethoxyphenyl)ethyl]-1-(3-pyridylmethyl)thiourea CAS Name: 3-[2-(3,4-diethoxyphenyl)ethyl]-1-(phenylmethyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-benzyl-3-[2-(3,4-diethoxyphenyl)ethyl]-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-benzyl-3-[2-(3,4-diethoxyphenyl)ethyl]-1-(3-pyridylmethyl)thiourea Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=S)N(CC2=CC=CC=C2)CC3=CN=CC=C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=S)N(CC2=CC=CC=C2)CC3=CN=CC=C3)OCC

InChI

InChI=1S/C26H31N3O2S/c1-3-30-24-13-12-21(17-25(24)31-4-2)14-16-28-26(32)29(19-22-9-6-5-7-10-22)20-23-11-8-15-27-18-23/h5-13,15,17-18H,3-4,14,16,19-20H2,1-2H3,(H,28,32)