1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]thiourea Traditional Name: 1-[[(E)-3-(4-fluorophenyl)acryloyl]amino]-3-homoveratryl-thiourea Formula: C20H22FN3O3S MolecularWeight: 403.470383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)C=CC2=CC=C(C=C2)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)/C=C/C2=CC=C(C=C2)F)OC

InChI

InChI=1S/C20H22FN3O3S/c1-26-17-9-5-15(13-18(17)27-2)11-12-22-20(28)24-23-19(25)10-6-14-3-7-16(21)8-4-14/h3-10,13H,11-12H2,1-2H3,(H,23,25)(H2,22,24,28)/b10-6+