1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methyl-6-propan-2-yl-phenyl)-1-(pyridin-2-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methyl-6-propan-2-yl-phenyl)-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-isopropyl-6-methyl-phenyl)-1-(2-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methyl-6-propan-2-ylphenyl)-1-(2-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methyl-6-propan-2-ylphenyl)-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 3-(2-isopropyl-6-methyl-phenyl)-1-piperonyl-1-(2-pyridylmethyl)thiourea Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O2S/c1-17(2)21-9-6-7-18(3)24(21)27-25(31)28(15-20-8-4-5-12-26-20)14-19-10-11-22-23(13-19)30-16-29-22/h4-13,17H,14-16H2,1-3H3,(H,27,31)