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

Systemtic Name: 1-[3-(4-cyanophenyl)propanoylamino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Openeye Name: 1-[3-(4-cyanophenyl)propanoylamino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-[[3-(4-cyanophenyl)-1-oxopropyl]amino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea IUPAC Name: 1-[3-(4-cyanophenyl)propanoylamino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-[3-(4-cyanophenyl)propanoylamino]-3-homoveratryl-thiourea Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)CCC2=CC=C(C=C2)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)CCC2=CC=C(C=C2)C#N)OC

InChI

InChI=1S/C21H24N4O3S/c1-27-18-9-7-16(13-19(18)28-2)11-12-23-21(29)25-24-20(26)10-8-15-3-5-17(14-22)6-4-15/h3-7,9,13H,8,10-12H2,1-2H3,(H,24,26)(H2,23,25,29)