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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxyphenyl)-1-(1-methylpiperidin-4-yl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxyphenyl)-1-(1-methyl-4-piperidyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxyphenyl)-1-(1-methyl-4-piperidinyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxyphenyl)-1-(1-methylpiperidin-4-yl)thiourea Traditional Name: 3-(3-methoxyphenyl)-1-(1-methyl-4-piperidyl)-1-piperonyl-thiourea Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC(=CC=C4)OC

Isomeric SMILES

CN1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC(=CC=C4)OC

InChI

InChI=1S/C22H27N3O3S/c1-24-10-8-18(9-11-24)25(14-16-6-7-20-21(12-16)28-15-27-20)22(29)23-17-4-3-5-19(13-17)26-2/h3-7,12-13,18H,8-11,14-15H2,1-2H3,(H,23,29)