1-[1-(1-adamantyl)propyl]-3-(1,3-benzodioxol-5-yl)thiourea

Systemtic Name: 1-[1-(1-adamantyl)propyl]-3-(1,3-benzodioxol-5-yl)thiourea Openeye Name: 1-[1-(1-adamantyl)propyl]-3-(1,3-benzodioxol-5-yl)thiourea CAS Name: 1-[1-(1-adamantyl)propyl]-3-(1,3-benzodioxol-5-yl)thiourea IUPAC Name: 1-[1-(1-adamantyl)propyl]-3-(1,3-benzodioxol-5-yl)thiourea Traditional Name: 1-[1-(1-adamantyl)propyl]-3-(1,3-benzodioxol-5-yl)thiourea Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H28N2O2S/c1-2-19(21-9-13-5-14(10-21)7-15(6-13)11-21)23-20(26)22-16-3-4-17-18(8-16)25-12-24-17/h3-4,8,13-15,19H,2,5-7,9-12H2,1H3,(H2,22,23,26)