1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]urea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]urea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]urea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-methyl-1-piperidinyl)-2-thiophen-2-ylethyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]urea Traditional Name: 1-[2-(4-methylpiperidino)-2-(2-thienyl)ethyl]-3-piperonyl-urea Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(CNC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CS4

Isomeric SMILES

CC1CCN(CC1)C(CNC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CS4

InChI

InChI=1S/C21H27N3O3S/c1-15-6-8-24(9-7-15)17(20-3-2-10-28-20)13-23-21(25)22-12-16-4-5-18-19(11-16)27-14-26-18/h2-5,10-11,15,17H,6-9,12-14H2,1H3,(H2,22,23,25)