1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-[(4-methoxyphenyl)methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-[(4-methoxyphenyl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-[(4-methoxyphenyl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-[(4-methoxyphenyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-[(4-methoxyphenyl)methyl]thiourea Traditional Name: 1-cyclopentyl-3-p-anisyl-1-piperonyl-thiourea Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)N(CC2=CC3=C(C=C2)OCO3)C4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)N(CC2=CC3=C(C=C2)OCO3)C4CCCC4

InChI

InChI=1S/C22H26N2O3S/c1-25-19-9-6-16(7-10-19)13-23-22(28)24(18-4-2-3-5-18)14-17-8-11-20-21(12-17)27-15-26-20/h6-12,18H,2-5,13-15H2,1H3,(H,23,28)