1-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxyphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxyphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(3-methoxyphenyl)-1-piperonyl-1-(3-pyridylmethyl)thiourea Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CN=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CN=CC=C4

InChI

InChI=1S/C22H21N3O3S/c1-26-19-6-2-5-18(11-19)24-22(29)25(14-17-4-3-9-23-12-17)13-16-7-8-20-21(10-16)28-15-27-20/h2-12H,13-15H2,1H3,(H,24,29)