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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)-1-(1-methylpiperidin-4-yl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)-1-(1-methyl-4-piperidyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)-1-(1-methyl-4-piperidinyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)-1-(1-methylpiperidin-4-yl)thiourea Traditional Name: 3-(3,4-dimethoxyphenyl)-1-(1-methyl-4-piperidyl)-1-piperonyl-thiourea Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CN1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C23H29N3O4S/c1-25-10-8-18(9-11-25)26(14-16-4-6-20-22(12-16)30-15-29-20)23(31)24-17-5-7-19(27-2)21(13-17)28-3/h4-7,12-13,18H,8-11,14-15H2,1-3H3,(H,24,31)