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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CN=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CN=CC=C4

InChI

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