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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(1-methylpiperidin-4-yl)-3-phenethyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-4-piperidyl)-3-phenethyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-4-piperidinyl)-3-phenethylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(1-methylpiperidin-4-yl)-3-phenethylthiourea Traditional Name: 1-(1-methyl-4-piperidyl)-3-phenethyl-1-piperonyl-thiourea Formula: C23H29N3O2S MolecularWeight: 411.56026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

CN1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O2S/c1-25-13-10-20(11-14-25)26(16-19-7-8-21-22(15-19)28-17-27-21)23(29)24-12-9-18-5-3-2-4-6-18/h2-8,15,20H,9-14,16-17H2,1H3,(H,24,29)