3-[2-(3,4-diethoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)-1-(oxolan-2-ylmethyl)thiourea

Systemtic Name: 3-[2-(3,4-diethoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)-1-(oxolan-2-ylmethyl)thiourea Openeye Name: 3-[2-(3,4-diethoxyphenyl)ethyl]-1-(1-methyl-4-piperidyl)-1-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 3-[2-(3,4-diethoxyphenyl)ethyl]-1-(1-methyl-4-piperidinyl)-1-(2-oxolanylmethyl)thiourea IUPAC Name: 3-[2-(3,4-diethoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)-1-(oxolan-2-ylmethyl)thiourea Traditional Name: 3-[2-(3,4-diethoxyphenyl)ethyl]-1-(1-methyl-4-piperidyl)-1-(tetrahydrofurfuryl)thiourea Formula: C24H39N3O3S MolecularWeight: 449.64976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=S)N(CC2CCCO2)C3CCN(CC3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=S)N(CC2CCCO2)C3CCN(CC3)C)OCC

InChI

InChI=1S/C24H39N3O3S/c1-4-28-22-9-8-19(17-23(22)29-5-2)10-13-25-24(31)27(18-21-7-6-16-30-21)20-11-14-26(3)15-12-20/h8-9,17,20-21H,4-7,10-16,18H2,1-3H3,(H,25,31)