1-(1,3-benzodioxol-5-ylmethyl)-1-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)thiourea Traditional Name: 1-(4-fluorobenzyl)-3-(3-methoxyphenyl)-1-piperonyl-thiourea Formula: C23H21FN2O3S MolecularWeight: 424.487843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N(CC2=CC=C(C=C2)F)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N(CC2=CC=C(C=C2)F)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H21FN2O3S/c1-27-20-4-2-3-19(12-20)25-23(30)26(13-16-5-8-18(24)9-6-16)14-17-7-10-21-22(11-17)29-15-28-21/h2-12H,13-15H2,1H3,(H,25,30)