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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cycloheptyl-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cycloheptyl-1-(3-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cycloheptyl-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cycloheptyl-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-cycloheptyl-1-piperonyl-1-(3-pyridylmethyl)thiourea Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CN=CC=C4

Isomeric SMILES

C1CCCC(CC1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CN=CC=C4

InChI

InChI=1S/C22H27N3O2S/c28-22(24-19-7-3-1-2-4-8-19)25(15-18-6-5-11-23-13-18)14-17-9-10-20-21(12-17)27-16-26-20/h5-6,9-13,19H,1-4,7-8,14-16H2,(H,24,28)