1-(1,3-benzodioxol-5-yl)-3-(3-fluoranyl-4-methyl-phenyl)-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(3-fluoranyl-4-methyl-phenyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(3-fluoro-4-methyl-phenyl)-1-(4-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(3-fluoro-4-methylphenyl)-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(3-fluoro-4-methylphenyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(3-fluoro-4-methyl-phenyl)-1-(4-pyridylmethyl)thiourea Formula: C21H18FN3O2S MolecularWeight: 395.449923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(CC2=CC=NC=C2)C3=CC4=C(C=C3)OCO4)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(CC2=CC=NC=C2)C3=CC4=C(C=C3)OCO4)F

InChI

InChI=1S/C21H18FN3O2S/c1-14-2-3-16(10-18(14)22)24-21(28)25(12-15-6-8-23-9-7-15)17-4-5-19-20(11-17)27-13-26-19/h2-11H,12-13H2,1H3,(H,24,28)