1-(1,3-benzodioxol-5-ylmethyl)-3-butan-2-yl-1-(1-methylpiperidin-4-yl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-butan-2-yl-1-(1-methylpiperidin-4-yl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-4-piperidyl)-3-sec-butyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-butan-2-yl-1-(1-methyl-4-piperidinyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-butan-2-yl-1-(1-methylpiperidin-4-yl)thiourea Traditional Name: 1-(1-methyl-4-piperidyl)-1-piperonyl-3-sec-butyl-thiourea Formula: C19H29N3O2S MolecularWeight: 363.51746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=S)N(CC1=CC2=C(C=C1)OCO2)C3CCN(CC3)C

Isomeric SMILES

CCC(C)NC(=S)N(CC1=CC2=C(C=C1)OCO2)C3CCN(CC3)C

InChI

InChI=1S/C19H29N3O2S/c1-4-14(2)20-19(25)22(16-7-9-21(3)10-8-16)12-15-5-6-17-18(11-15)24-13-23-17/h5-6,11,14,16H,4,7-10,12-13H2,1-3H3,(H,20,25)