1-(1,3-benzothiazol-2-yl)-3-[[3-(4-methylphenyl)-1-adamantyl]methyl]urea

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-3-[[3-(4-methylphenyl)-1-adamantyl]methyl]urea Openeye Name: 1-(1,3-benzothiazol-2-yl)-3-[[3-(p-tolyl)-1-adamantyl]methyl]urea CAS Name: 1-(1,3-benzothiazol-2-yl)-3-[[3-(4-methylphenyl)-1-adamantyl]methyl]urea IUPAC Name: 1-(1,3-benzothiazol-2-yl)-3-[[3-(4-methylphenyl)-1-adamantyl]methyl]urea Traditional Name: 1-(1,3-benzothiazol-2-yl)-3-[[3-(p-tolyl)-1-adamantyl]methyl]urea Formula: C26H29N3OS MolecularWeight: 431.59296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CNC(=O)NC5=NC6=CC=CC=C6S5

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CNC(=O)NC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C26H29N3OS/c1-17-6-8-20(9-7-17)26-13-18-10-19(14-26)12-25(11-18,15-26)16-27-23(30)29-24-28-21-4-2-3-5-22(21)31-24/h2-9,18-19H,10-16H2,1H3,(H2,27,28,29,30)