1-[3-(4-methylsulfonylphenyl)-1-adamantyl]thiourea

Systemtic Name: 1-[3-(4-methylsulfonylphenyl)-1-adamantyl]thiourea Openeye Name: [3-(4-methylsulfonylphenyl)-1-adamantyl]thiourea CAS Name: [3-(4-methylsulfonylphenyl)-1-adamantyl]thiourea IUPAC Name: [3-(4-methylsulfonylphenyl)-1-adamantyl]thiourea Traditional Name: [3-(4-mesylphenyl)-1-adamantyl]thiourea Formula: C18H24N2O2S2 MolecularWeight: 364.52536

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)NC(=S)N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)NC(=S)N

InChI

InChI=1S/C18H24N2O2S2/c1-24(21,22)15-4-2-14(3-5-15)17-7-12-6-13(8-17)10-18(9-12,11-17)20-16(19)23/h2-5,12-13H,6-11H2,1H3,(H3,19,20,23)