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

Systemtic Name: ethyl N'-(5-chloranyl-2-phenoxy-phenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Openeye Name: 3-(5-chloro-2-phenoxy-phenyl)-2-ethyl-1,1-bis[(4-methoxyphenyl)methyl]isothiourea CAS Name: N'-(5-chloro-2-phenoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-(5-chloro-2-phenoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Traditional Name: 3-(5-chloro-2-phenoxy-phenyl)-2-ethyl-1,1-bis(p-anisyl)isothiourea Formula: C31H31ClN2O3S MolecularWeight: 547.10744

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=C(C=CC(=C1)Cl)OC2=CC=CC=C2)N(CC3=CC=C(C=C3)OC)CC4=CC=C(C=C4)OC

Isomeric SMILES

CCSC(=NC1=C(C=CC(=C1)Cl)OC2=CC=CC=C2)N(CC3=CC=C(C=C3)OC)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C31H31ClN2O3S/c1-4-38-31(33-29-20-25(32)14-19-30(29)37-28-8-6-5-7-9-28)34(21-23-10-15-26(35-2)16-11-23)22-24-12-17-27(36-3)18-13-24/h5-20H,4,21-22H2,1-3H3