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

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

Isomeric SMILES

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

InChI

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