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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-1-[(2,3-dimethoxyphenyl)methyl]thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-1-[(2,3-dimethoxyphenyl)methyl]thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-1-[(2,3-dimethoxyphenyl)methyl]thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-1-[(2,3-dimethoxyphenyl)methyl]thiourea Traditional Name: 1-cyclopentyl-1-o-veratryl-3-piperonyl-thiourea Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN(C2CCCC2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC(=C1OC)CN(C2CCCC2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H28N2O4S/c1-26-20-9-5-6-17(22(20)27-2)14-25(18-7-3-4-8-18)23(30)24-13-16-10-11-19-21(12-16)29-15-28-19/h5-6,9-12,18H,3-4,7-8,13-15H2,1-2H3,(H,24,30)