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

Systemtic Name: 1-(2-adamantyl)-3-(1,3-benzodioxol-5-yl)thiourea Openeye Name: 1-(2-adamantyl)-3-(1,3-benzodioxol-5-yl)thiourea CAS Name: 1-(2-adamantyl)-3-(1,3-benzodioxol-5-yl)thiourea IUPAC Name: 1-(2-adamantyl)-3-(1,3-benzodioxol-5-yl)thiourea Traditional Name: 1-(2-adamantyl)-3-(1,3-benzodioxol-5-yl)thiourea Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=S)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=S)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C18H22N2O2S/c23-18(19-14-1-2-15-16(8-14)22-9-21-15)20-17-12-4-10-3-11(6-12)7-13(17)5-10/h1-2,8,10-13,17H,3-7,9H2,(H2,19,20,23)