1-(1,3-benzodioxol-5-ylmethyl)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-methyl-thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-methyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-methyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[[(1S)-1-cyclohex-3-enyl]methyl]-3-methylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-methylthiourea Traditional Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-methyl-1-piperonyl-thiourea Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N(CC1CCC=CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CNC(=S)N(C[C@H]1CCC=CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H22N2O2S/c1-18-17(22)19(10-13-5-3-2-4-6-13)11-14-7-8-15-16(9-14)21-12-20-15/h2-3,7-9,13H,4-6,10-12H2,1H3,(H,18,22)/t13-/m1/s1