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

Systemtic Name: methyl N'-(5-chloranyl-2-phenoxy-phenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Openeye Name: 3-(5-chloro-2-phenoxy-phenyl)-1,1-bis[(4-methoxyphenyl)methyl]-2-methyl-isothiourea CAS Name: N'-(5-chloro-2-phenoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(5-chloro-2-phenoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Traditional Name: 3-(5-chloro-2-phenoxy-phenyl)-2-methyl-1,1-bis(p-anisyl)isothiourea Formula: C30H29ClN2O3S MolecularWeight: 533.08086

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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)Cl)OC4=CC=CC=C4)SC

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)C(=NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C4)SC

InChI

InChI=1S/C30H29ClN2O3S/c1-34-25-14-9-22(10-15-25)20-33(21-23-11-16-26(35-2)17-12-23)30(37-3)32-28-19-24(31)13-18-29(28)36-27-7-5-4-6-8-27/h4-19H,20-21H2,1-3H3