1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxy-3-methyl-phenyl)-1-(pyridin-2-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxy-3-methyl-phenyl)-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxy-3-methyl-phenyl)-1-(2-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxy-3-methylphenyl)-1-(2-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxy-3-methylphenyl)-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 3-(4-methoxy-3-methyl-phenyl)-1-piperonyl-1-(2-pyridylmethyl)thiourea Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=N4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=N4)OC

InChI

InChI=1S/C23H23N3O3S/c1-16-11-18(7-9-20(16)27-2)25-23(30)26(14-19-5-3-4-10-24-19)13-17-6-8-21-22(12-17)29-15-28-21/h3-12H,13-15H2,1-2H3,(H,25,30)