1-(1-adamantylmethyl)-3-(1,3-benzodioxol-5-yl)thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=S)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=S)NC4=CC5=C(C=C4)OCO5

InChI

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