1-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dimethylphenyl)-1-(1-methylpiperidin-4-yl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dimethylphenyl)-1-(1-methylpiperidin-4-yl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dimethylphenyl)-1-(1-methyl-4-piperidyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dimethylphenyl)-1-(1-methyl-4-piperidinyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dimethylphenyl)-1-(1-methylpiperidin-4-yl)thiourea Traditional Name: 3-(2,6-dimethylphenyl)-1-(1-methyl-4-piperidyl)-1-piperonyl-thiourea Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)N(CC2=CC3=C(C=C2)OCO3)C4CCN(CC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)N(CC2=CC3=C(C=C2)OCO3)C4CCN(CC4)C

InChI

InChI=1S/C23H29N3O2S/c1-16-5-4-6-17(2)22(16)24-23(29)26(19-9-11-25(3)12-10-19)14-18-7-8-20-21(13-18)28-15-27-20/h4-8,13,19H,9-12,14-15H2,1-3H3,(H,24,29)