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

Systemtic Name: 1-[1-(1-adamantyl)ethyl]-3-(1,3-benzodioxol-5-yl)thiourea Openeye Name: 1-[1-(1-adamantyl)ethyl]-3-(1,3-benzodioxol-5-yl)thiourea CAS Name: 1-[1-(1-adamantyl)ethyl]-3-(1,3-benzodioxol-5-yl)thiourea IUPAC Name: 1-[1-(1-adamantyl)ethyl]-3-(1,3-benzodioxol-5-yl)thiourea Traditional Name: 1-[1-(1-adamantyl)ethyl]-3-(1,3-benzodioxol-5-yl)thiourea Formula: C20H26N2O2S MolecularWeight: 358.49764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O2S/c1-12(20-8-13-4-14(9-20)6-15(5-13)10-20)21-19(25)22-16-2-3-17-18(7-16)24-11-23-17/h2-3,7,12-15H,4-6,8-11H2,1H3,(H2,21,22,25)