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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethylphenyl)-1-(1-methylpiperidin-4-yl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethylphenyl)-1-(1-methyl-4-piperidyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethylphenyl)-1-(1-methyl-4-piperidinyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethylphenyl)-1-(1-methylpiperidin-4-yl)thiourea Traditional Name: 3-(3,4-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=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)C4CCN(CC4)C)C

Isomeric SMILES

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

InChI

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