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

Systemtic Name: 1-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-(2-fluorophenyl)thiourea Openeye Name: 1-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-(2-fluorophenyl)thiourea CAS Name: 1-[[3-(3,4-dimethoxyphenyl)-1-oxopropyl]amino]-3-(2-fluorophenyl)thiourea IUPAC Name: 1-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-(2-fluorophenyl)thiourea Traditional Name: 1-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-(2-fluorophenyl)thiourea Formula: C18H20FN3O3S MolecularWeight: 377.433103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NNC(=S)NC2=CC=CC=C2F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NNC(=S)NC2=CC=CC=C2F)OC

InChI

InChI=1S/C18H20FN3O3S/c1-24-15-9-7-12(11-16(15)25-2)8-10-17(23)21-22-18(26)20-14-6-4-3-5-13(14)19/h3-7,9,11H,8,10H2,1-2H3,(H,21,23)(H2,20,22,26)