1-[[(E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-3-(4-fluorophenyl)thiourea

Systemtic Name: 1-[[(E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-3-(4-fluorophenyl)thiourea Openeye Name: 1-[[(E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-3-(4-fluorophenyl)thiourea CAS Name: 1-[[(E)-3-(4-butoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-3-(4-fluorophenyl)thiourea IUPAC Name: 1-[[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]amino]-3-(4-fluorophenyl)thiourea Traditional Name: 1-[[(E)-3-(4-butoxy-3-methoxy-phenyl)acryloyl]amino]-3-(4-fluorophenyl)thiourea Formula: C21H24FN3O3S MolecularWeight: 417.496963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)NNC(=S)NC2=CC=C(C=C2)F)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)NNC(=S)NC2=CC=C(C=C2)F)OC

InChI

InChI=1S/C21H24FN3O3S/c1-3-4-13-28-18-11-5-15(14-19(18)27-2)6-12-20(26)24-25-21(29)23-17-9-7-16(22)8-10-17/h5-12,14H,3-4,13H2,1-2H3,(H,24,26)(H2,23,25,29)/b12-6+