1-(1,3-benzodioxol-5-ylmethyl)-1-(1-methylpiperidin-4-yl)-3-(phenylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(1-methylpiperidin-4-yl)-3-(phenylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-(1-methyl-4-piperidyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-4-piperidinyl)-3-(phenylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-(1-methylpiperidin-4-yl)thiourea Traditional Name: 3-benzyl-1-(1-methyl-4-piperidyl)-1-piperonyl-thiourea Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

CN1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O2S/c1-24-11-9-19(10-12-24)25(22(28)23-14-17-5-3-2-4-6-17)15-18-7-8-20-21(13-18)27-16-26-20/h2-8,13,19H,9-12,14-16H2,1H3,(H,23,28)