3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-1-(4-pyridylmethyl)thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 1-cyclopentyl-3-piperonyl-1-(4-pyridylmethyl)thiourea Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC=NC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(C1)N(CC2=CC=NC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23N3O2S/c26-20(22-12-16-5-6-18-19(11-16)25-14-24-18)23(17-3-1-2-4-17)13-15-7-9-21-10-8-15/h5-11,17H,1-4,12-14H2,(H,22,26)