1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(2-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiourea Traditional Name: 1-[2-(2-methoxyphenyl)-2-pyrrolidino-ethyl]-3-piperonyl-thiourea Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=S)NCC2=CC3=C(C=C2)OCO3)N4CCCC4

Isomeric SMILES

COC1=CC=CC=C1C(CNC(=S)NCC2=CC3=C(C=C2)OCO3)N4CCCC4

InChI

InChI=1S/C22H27N3O3S/c1-26-19-7-3-2-6-17(19)18(25-10-4-5-11-25)14-24-22(29)23-13-16-8-9-20-21(12-16)28-15-27-20/h2-3,6-9,12,18H,4-5,10-11,13-15H2,1H3,(H2,23,24,29)