1-[2-(1-adamantyl)ethanoylamino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea

Systemtic Name: 1-[2-(1-adamantyl)ethanoylamino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Openeye Name: 1-[[2-(1-adamantyl)acetyl]amino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea CAS Name: 1-[[2-(1-adamantyl)-1-oxoethyl]amino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea IUPAC Name: 1-[[2-(1-adamantyl)acetyl]amino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Traditional Name: 1-[[2-(1-adamantyl)acetyl]amino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=S)NNC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=S)NNC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H27N3O3S/c25-19(12-21-9-13-5-14(10-21)7-15(6-13)11-21)23-24-20(28)22-16-1-2-17-18(8-16)27-4-3-26-17/h1-2,8,13-15H,3-7,9-12H2,(H,23,25)(H2,22,24,28)