1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[di(propan-2-yl)amino]ethyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[di(propan-2-yl)amino]ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(diisopropylamino)ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[di(propan-2-yl)amino]ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[di(propan-2-yl)amino]ethyl]thiourea Traditional Name: 1-[2-(diisopropylamino)ethyl]-3-piperonyl-thiourea Formula: C17H27N3O2S MolecularWeight: 337.48018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCNC(=S)NCC1=CC2=C(C=C1)OCO2)C(C)C

Isomeric SMILES

CC(C)N(CCNC(=S)NCC1=CC2=C(C=C1)OCO2)C(C)C

InChI

InChI=1S/C17H27N3O2S/c1-12(2)20(13(3)4)8-7-18-17(23)19-10-14-5-6-15-16(9-14)22-11-21-15/h5-6,9,12-13H,7-8,10-11H2,1-4H3,(H2,18,19,23)