1-(2-adamantyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea

Systemtic Name: 1-(2-adamantyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea Openeye Name: 1-(2-adamantyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea CAS Name: 1-(2-adamantyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea IUPAC Name: 1-(2-adamantyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea Traditional Name: 1-(2-adamantyl)-3-piperonyl-thiourea Formula: C19H24N2O2S MolecularWeight: 344.47106

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=S)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=S)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C19H24N2O2S/c24-19(20-9-11-1-2-16-17(8-11)23-10-22-16)21-18-14-4-12-3-13(6-14)7-15(18)5-12/h1-2,8,12-15,18H,3-7,9-10H2,(H2,20,21,24)