1-(1,3-benzodioxol-5-ylmethyl)-3-cycloheptyl-thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cycloheptyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cycloheptyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cycloheptylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cycloheptylthiourea Traditional Name: 1-cycloheptyl-3-piperonyl-thiourea Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCCC(CC1)NC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H22N2O2S/c21-16(18-13-5-3-1-2-4-6-13)17-10-12-7-8-14-15(9-12)20-11-19-14/h7-9,13H,1-6,10-11H2,(H2,17,18,21)