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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chloranyl-2-methoxy-phenyl)-1-(1-methylpiperidin-4-yl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chloro-2-methoxy-phenyl)-1-(1-methyl-4-piperidyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chloro-2-methoxyphenyl)-1-(1-methyl-4-piperidinyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chloro-2-methoxyphenyl)-1-(1-methylpiperidin-4-yl)thiourea Traditional Name: 3-(4-chloro-2-methoxy-phenyl)-1-(1-methyl-4-piperidyl)-1-piperonyl-thiourea Formula: C22H26ClN3O3S MolecularWeight: 447.97814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O3S/c1-25-9-7-17(8-10-25)26(13-15-3-6-19-21(11-15)29-14-28-19)22(30)24-18-5-4-16(23)12-20(18)27-2/h3-6,11-12,17H,7-10,13-14H2,1-2H3,(H,24,30)