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

Systemtic Name: 1-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[[3-(3,4-dimethoxyphenyl)-1-oxopropyl]amino]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-(4-fluorobenzyl)thiourea Formula: C19H22FN3O3S MolecularWeight: 391.459683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NNC(=S)NCC2=CC=C(C=C2)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NNC(=S)NCC2=CC=C(C=C2)F)OC

InChI

InChI=1S/C19H22FN3O3S/c1-25-16-9-5-13(11-17(16)26-2)6-10-18(24)22-23-19(27)21-12-14-3-7-15(20)8-4-14/h3-5,7-9,11H,6,10,12H2,1-2H3,(H,22,24)(H2,21,23,27)