1-(1-adamantyl)-3-(4-piperidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-(1-adamantyl)-3-(4-piperidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-(1-adamantyl)-3-[4-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-(1-adamantyl)-3-[4-(1-piperidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(1-adamantyl)-3-(4-piperidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(1-adamantyl)-3-(4-piperidinosulfonylphenyl)thiourea Formula: C22H31N3O2S2 MolecularWeight: 433.63044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H31N3O2S2/c26-29(27,25-8-2-1-3-9-25)20-6-4-19(5-7-20)23-21(28)24-22-13-16-10-17(14-22)12-18(11-16)15-22/h4-7,16-18H,1-3,8-15H2,(H2,23,24,28)