1-(3-methoxypropyl)-3-(3-methylsulfanylphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea

Systemtic Name: 1-(3-methoxypropyl)-3-(3-methylsulfanylphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea Openeye Name: 1-(3-methoxypropyl)-3-(3-methylsulfanylphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea CAS Name: 1-(3-methoxypropyl)-3-[3-(methylthio)phenyl]-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea IUPAC Name: 1-(3-methoxypropyl)-3-(3-methylsulfanylphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea Traditional Name: 1-(3-methoxypropyl)-3-[3-(methylthio)phenyl]-1-(3,4,5-trimethoxybenzyl)thiourea Formula: C22H30N2O4S2 MolecularWeight: 450.6146

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN(CC1=CC(=C(C(=C1)OC)OC)OC)C(=S)NC2=CC(=CC=C2)SC

Isomeric SMILES

COCCCN(CC1=CC(=C(C(=C1)OC)OC)OC)C(=S)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C22H30N2O4S2/c1-25-11-7-10-24(22(29)23-17-8-6-9-18(14-17)30-5)15-16-12-19(26-2)21(28-4)20(13-16)27-3/h6,8-9,12-14H,7,10-11,15H2,1-5H3,(H,23,29)