1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(2-methylphenoxy)propanoylamino]thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(2-methylphenoxy)propanoylamino]thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(2-methylphenoxy)propanoylamino]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[3-(2-methylphenoxy)-1-oxopropyl]amino]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(2-methylphenoxy)propanoylamino]thiourea Traditional Name: 1-homoveratryl-3-[3-(2-methylphenoxy)propanoylamino]thiourea Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCC(=O)NNC(=S)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC=CC=C1OCCC(=O)NNC(=S)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H27N3O4S/c1-15-6-4-5-7-17(15)28-13-11-20(25)23-24-21(29)22-12-10-16-8-9-18(26-2)19(14-16)27-3/h4-9,14H,10-13H2,1-3H3,(H,23,25)(H2,22,24,29)