methyl N'-(3-chloranyl-4-methyl-phenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate

Systemtic Name: methyl N'-(3-chloranyl-4-methyl-phenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Openeye Name: 3-(3-chloro-4-methyl-phenyl)-1,1-bis[(4-methoxyphenyl)methyl]-2-methyl-isothiourea CAS Name: N'-(3-chloro-4-methylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(3-chloro-4-methylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Traditional Name: 3-(3-chloro-4-methyl-phenyl)-2-methyl-1,1-bis(p-anisyl)isothiourea Formula: C25H27ClN2O2S MolecularWeight: 455.01208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SC)Cl

InChI

InChI=1S/C25H27ClN2O2S/c1-18-5-10-21(15-24(18)26)27-25(31-4)28(16-19-6-11-22(29-2)12-7-19)17-20-8-13-23(30-3)14-9-20/h5-15H,16-17H2,1-4H3