1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chloranyl-6-methyl-phenyl)-1-(1-methylpiperidin-4-yl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chloranyl-6-methyl-phenyl)-1-(1-methylpiperidin-4-yl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chloro-6-methyl-phenyl)-1-(1-methyl-4-piperidyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chloro-6-methylphenyl)-1-(1-methyl-4-piperidinyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chloro-6-methylphenyl)-1-(1-methylpiperidin-4-yl)thiourea Traditional Name: 3-(2-chloro-6-methyl-phenyl)-1-(1-methyl-4-piperidyl)-1-piperonyl-thiourea Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O2S/c1-15-4-3-5-18(23)21(15)24-22(29)26(17-8-10-25(2)11-9-17)13-16-6-7-19-20(12-16)28-14-27-19/h3-7,12,17H,8-11,13-14H2,1-2H3,(H,24,29)