1-(1,3-benzodioxol-5-ylmethyl)-3-cycloheptyl-1-[(5-methylfuran-2-yl)methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cycloheptyl-1-[(5-methylfuran-2-yl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cycloheptyl-1-[(5-methyl-2-furyl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cycloheptyl-1-[(5-methyl-2-furanyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cycloheptyl-1-[(5-methylfuran-2-yl)methyl]thiourea Traditional Name: 3-cycloheptyl-1-[(5-methyl-2-furyl)methyl]-1-piperonyl-thiourea Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN(CC2=CC3=C(C=C2)OCO3)C(=S)NC4CCCCCC4

Isomeric SMILES

CC1=CC=C(O1)CN(CC2=CC3=C(C=C2)OCO3)C(=S)NC4CCCCCC4

InChI

InChI=1S/C22H28N2O3S/c1-16-8-10-19(27-16)14-24(22(28)23-18-6-4-2-3-5-7-18)13-17-9-11-20-21(12-17)26-15-25-20/h8-12,18H,2-7,13-15H2,1H3,(H,23,28)