1-(1,3-benzodioxol-5-ylmethyl)-1-(1-methylpiperidin-4-yl)-3-propan-2-yl-thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(1-methylpiperidin-4-yl)-3-propan-2-yl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-isopropyl-1-(1-methyl-4-piperidyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-4-piperidinyl)-3-propan-2-ylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(1-methylpiperidin-4-yl)-3-propan-2-ylthiourea Traditional Name: 3-isopropyl-1-(1-methyl-4-piperidyl)-1-piperonyl-thiourea Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)N(CC1=CC2=C(C=C1)OCO2)C3CCN(CC3)C

Isomeric SMILES

CC(C)NC(=S)N(CC1=CC2=C(C=C1)OCO2)C3CCN(CC3)C

InChI

InChI=1S/C18H27N3O2S/c1-13(2)19-18(24)21(15-6-8-20(3)9-7-15)11-14-4-5-16-17(10-14)23-12-22-16/h4-5,10,13,15H,6-9,11-12H2,1-3H3,(H,19,24)