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

Systemtic Name: 1,3-bis(1,3-benzodioxol-5-ylmethyl)-1-(1-methylpiperidin-4-yl)thiourea Openeye Name: 1,3-bis(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-4-piperidyl)thiourea CAS Name: 1,3-bis(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-4-piperidinyl)thiourea IUPAC Name: 1,3-bis(1,3-benzodioxol-5-ylmethyl)-1-(1-methylpiperidin-4-yl)thiourea Traditional Name: 1-(1-methyl-4-piperidyl)-1,3-dipiperonyl-thiourea Formula: C23H27N3O4S MolecularWeight: 441.54318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)C(=S)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)C(=S)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H27N3O4S/c1-25-8-6-18(7-9-25)26(13-17-3-5-20-22(11-17)30-15-28-20)23(31)24-12-16-2-4-19-21(10-16)29-14-27-19/h2-5,10-11,18H,6-9,12-15H2,1H3,(H,24,31)