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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxy-5-methyl-phenyl)-1-(1-methylpiperidin-4-yl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxy-5-methyl-phenyl)-1-(1-methyl-4-piperidyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxy-5-methylphenyl)-1-(1-methyl-4-piperidinyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxy-5-methylphenyl)-1-(1-methylpiperidin-4-yl)thiourea Traditional Name: 3-(2-methoxy-5-methyl-phenyl)-1-(1-methyl-4-piperidyl)-1-piperonyl-thiourea Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c1-16-4-6-20(27-3)19(12-16)24-23(30)26(18-8-10-25(2)11-9-18)14-17-5-7-21-22(13-17)29-15-28-21/h4-7,12-13,18H,8-11,14-15H2,1-3H3,(H,24,30)