1-(1,3-benzodioxol-5-ylmethyl)-3-(4-butylphenyl)-1-(1-methylpiperidin-4-yl)thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)C4CCN(CC4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)C4CCN(CC4)C

InChI

InChI=1S/C25H33N3O2S/c1-3-4-5-19-6-9-21(10-7-19)26-25(31)28(22-12-14-27(2)15-13-22)17-20-8-11-23-24(16-20)30-18-29-23/h6-11,16,22H,3-5,12-15,17-18H2,1-2H3,(H,26,31)