3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-1-[(2-methoxyphenyl)methyl]thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-1-[(2-methoxyphenyl)methyl]thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-1-[(2-methoxyphenyl)methyl]thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-1-[(2-methoxyphenyl)methyl]thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-1-[(2-methoxyphenyl)methyl]thiourea Traditional Name: 1-cyclopentyl-1-o-anisyl-3-piperonyl-thiourea Formula: C22H26N2O3S MolecularWeight: 398.51844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN(C2CCCC2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC=C1CN(C2CCCC2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N2O3S/c1-25-19-9-5-2-6-17(19)14-24(18-7-3-4-8-18)22(28)23-13-16-10-11-20-21(12-16)27-15-26-20/h2,5-6,9-12,18H,3-4,7-8,13-15H2,1H3,(H,23,28)