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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NCC4=CC5=C(C=C4)OCO5

InChI

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