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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCC(=O)NNC(=S)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)OCCC(=O)NNC(=S)NCCC2=CC(=C(C=C2)OC)OC

InChI

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