3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[(2-piperidin-1-ylphenyl)methyl]thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[(2-piperidin-1-ylphenyl)methyl]thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[[2-(1-piperidyl)phenyl]methyl]thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[[2-(1-piperidinyl)phenyl]methyl]thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[(2-piperidin-1-ylphenyl)methyl]thiourea Traditional Name: 1-methyl-1-(2-piperidinobenzyl)-3-piperonyl-thiourea Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1N2CCCCC2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(CC1=CC=CC=C1N2CCCCC2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O2S/c1-24(15-18-7-3-4-8-19(18)25-11-5-2-6-12-25)22(28)23-14-17-9-10-20-21(13-17)27-16-26-20/h3-4,7-10,13H,2,5-6,11-12,14-16H2,1H3,(H,23,28)