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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)methyl]-1-(4-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(4-fluorobenzyl)-1-(4-pyridylmethyl)thiourea Formula: C21H18FN3O2S MolecularWeight: 395.449923

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N(CC3=CC=NC=C3)C(=S)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N(CC3=CC=NC=C3)C(=S)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C21H18FN3O2S/c22-17-3-1-15(2-4-17)12-24-21(28)25(13-16-7-9-23-10-8-16)18-5-6-19-20(11-18)27-14-26-19/h1-11H,12-14H2,(H,24,28)