1-(1-adamantyl)-3-[3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]urea

Systemtic Name: 1-(1-adamantyl)-3-[3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]urea Openeye Name: 1-(1-adamantyl)-3-[3-oxo-3-[4-(p-tolylsulfonyl)piperazin-1-yl]propyl]urea CAS Name: 1-(1-adamantyl)-3-[3-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]urea IUPAC Name: 1-(1-adamantyl)-3-[3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]urea Traditional Name: 1-(1-adamantyl)-3-[3-keto-3-(4-tosylpiperazino)propyl]urea Formula: C25H36N4O4S MolecularWeight: 488.64274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H36N4O4S/c1-18-2-4-22(5-3-18)34(32,33)29-10-8-28(9-11-29)23(30)6-7-26-24(31)27-25-15-19-12-20(16-25)14-21(13-19)17-25/h2-5,19-21H,6-17H2,1H3,(H2,26,27,31)