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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-dodecyl-1-(1-methylpiperidin-4-yl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-dodecyl-1-(1-methyl-4-piperidyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-dodecyl-1-(1-methyl-4-piperidinyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-dodecyl-1-(1-methylpiperidin-4-yl)thiourea Traditional Name: 3-lauryl-1-(1-methyl-4-piperidyl)-1-piperonyl-thiourea Formula: C27H45N3O2S MolecularWeight: 475.7301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45N3O2S/c1-3-4-5-6-7-8-9-10-11-12-17-28-27(33)30(24-15-18-29(2)19-16-24)21-23-13-14-25-26(20-23)32-22-31-25/h13-14,20,24H,3-12,15-19,21-22H2,1-2H3,(H,28,33)