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

Systemtic Name: methyl N'-(2-chloranyl-5-methoxy-phenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Openeye Name: 3-(2-chloro-5-methoxy-phenyl)-1,1-bis[(4-methoxyphenyl)methyl]-2-methyl-isothiourea CAS Name: N'-(2-chloro-5-methoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(2-chloro-5-methoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Traditional Name: 3-(2-chloro-5-methoxy-phenyl)-2-methyl-1,1-bis(p-anisyl)isothiourea Formula: C25H27ClN2O3S MolecularWeight: 471.01148

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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)OC)Cl)SC

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN2O3S/c1-29-20-9-5-18(6-10-20)16-28(17-19-7-11-21(30-2)12-8-19)25(32-4)27-24-15-22(31-3)13-14-23(24)26/h5-15H,16-17H2,1-4H3