1-(1,3-benzodioxol-5-ylmethyl)-3-(1-phenylethyl)-1-(pyridin-2-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(1-phenylethyl)-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(1-phenylethyl)-1-(2-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(1-phenylethyl)-1-(2-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(1-phenylethyl)-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 3-(1-phenylethyl)-1-piperonyl-1-(2-pyridylmethyl)thiourea Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O2S/c1-17(19-7-3-2-4-8-19)25-23(29)26(15-20-9-5-6-12-24-20)14-18-10-11-21-22(13-18)28-16-27-21/h2-13,17H,14-16H2,1H3,(H,25,29)