1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R,6R)-2,6-dimethyl-1-piperidyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R,6R)-2,6-dimethyl-1-piperidinyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]thiourea Traditional Name: 1-[(2R,6R)-2,6-dimethylpiperidino]-3-piperonyl-thiourea Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1NC(=S)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1NC(=S)NCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C16H23N3O2S/c1-11-4-3-5-12(2)19(11)18-16(22)17-9-13-6-7-14-15(8-13)21-10-20-14/h6-8,11-12H,3-5,9-10H2,1-2H3,(H2,17,18,22)/t11-,12-/m1/s1