(phenylmethyl) N,N-bis[(4-methoxyphenyl)methyl]-N'-prop-2-enyl-carbamimidothioate

Systemtic Name: (phenylmethyl) N,N-bis[(4-methoxyphenyl)methyl]-N'-prop-2-enyl-carbamimidothioate Openeye Name: 3-allyl-2-benzyl-1,1-bis[(4-methoxyphenyl)methyl]isothiourea CAS Name: N,N-bis[(4-methoxyphenyl)methyl]-N'-prop-2-enylcarbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N,N-bis[(4-methoxyphenyl)methyl]-N'-prop-2-enylcarbamimidothioate Traditional Name: 3-allyl-2-benzyl-1,1-bis(p-anisyl)isothiourea Formula: C27H30N2O2S MolecularWeight: 446.6043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)C(=NCC=C)SCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)C(=NCC=C)SCC3=CC=CC=C3

InChI

InChI=1S/C27H30N2O2S/c1-4-18-28-27(32-21-24-8-6-5-7-9-24)29(19-22-10-14-25(30-2)15-11-22)20-23-12-16-26(31-3)17-13-23/h4-17H,1,18-21H2,2-3H3