methyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(2-methoxy-5-phenyl-phenyl)carbamimidothioate

Systemtic Name: methyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(2-methoxy-5-phenyl-phenyl)carbamimidothioate Openeye Name: 1,1-bis[(4-methoxyphenyl)methyl]-3-(2-methoxy-5-phenyl-phenyl)-2-methyl-isothiourea CAS Name: N,N-bis[(4-methoxyphenyl)methyl]-N'-(2-methoxy-5-phenylphenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(2-methoxy-5-phenylphenyl)carbamimidothioate Traditional Name: 3-(2-methoxy-5-phenyl-phenyl)-2-methyl-1,1-bis(p-anisyl)isothiourea Formula: C31H32N2O3S MolecularWeight: 512.66238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)C(=NC3=C(C=CC(=C3)C4=CC=CC=C4)OC)SC

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)C(=NC3=C(C=CC(=C3)C4=CC=CC=C4)OC)SC

InChI

InChI=1S/C31H32N2O3S/c1-34-27-15-10-23(11-16-27)21-33(22-24-12-17-28(35-2)18-13-24)31(37-4)32-29-20-26(14-19-30(29)36-3)25-8-6-5-7-9-25/h5-20H,21-22H2,1-4H3