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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(1-methylpiperidin-4-yl)-3-(2-methyl-3-propan-2-yl-phenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-isopropyl-2-methyl-phenyl)-1-(1-methyl-4-piperidyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-4-piperidinyl)-3-(2-methyl-3-propan-2-ylphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(1-methylpiperidin-4-yl)-3-(2-methyl-3-propan-2-ylphenyl)thiourea Traditional Name: 3-(3-isopropyl-2-methyl-phenyl)-1-(1-methyl-4-piperidyl)-1-piperonyl-thiourea Formula: C25H33N3O2S MolecularWeight: 439.61342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)N(CC2=CC3=C(C=C2)OCO3)C4CCN(CC4)C)C(C)C

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)N(CC2=CC3=C(C=C2)OCO3)C4CCN(CC4)C)C(C)C

InChI

InChI=1S/C25H33N3O2S/c1-17(2)21-6-5-7-22(18(21)3)26-25(31)28(20-10-12-27(4)13-11-20)15-19-8-9-23-24(14-19)30-16-29-23/h5-9,14,17,20H,10-13,15-16H2,1-4H3,(H,26,31)