ethyl N'-(4-ethoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate

Systemtic Name: ethyl N'-(4-ethoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Openeye Name: 3-(4-ethoxyphenyl)-2-ethyl-1,1-bis[(4-methoxyphenyl)methyl]isothiourea CAS Name: N'-(4-ethoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-(4-ethoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Traditional Name: 2-ethyl-1,1-bis(p-anisyl)-3-p-phenetyl-isothiourea Formula: C27H32N2O3S MolecularWeight: 464.61958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SCC

Isomeric SMILES

CCOC1=CC=C(C=C1)N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SCC

InChI

InChI=1S/C27H32N2O3S/c1-5-32-26-17-11-23(12-18-26)28-27(33-6-2)29(19-21-7-13-24(30-3)14-8-21)20-22-9-15-25(31-4)16-10-22/h7-18H,5-6,19-20H2,1-4H3