1-(6-methoxy-1,3-benzothiazol-2-yl)-3-[[3-(4-methylphenyl)-1-adamantyl]methyl]urea

Systemtic Name: 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-[[3-(4-methylphenyl)-1-adamantyl]methyl]urea Openeye Name: 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-[[3-(p-tolyl)-1-adamantyl]methyl]urea CAS Name: 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-[[3-(4-methylphenyl)-1-adamantyl]methyl]urea IUPAC Name: 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-[[3-(4-methylphenyl)-1-adamantyl]methyl]urea Traditional Name: 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-[[3-(p-tolyl)-1-adamantyl]methyl]urea Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CNC(=O)NC5=NC6=C(S5)C=C(C=C6)OC

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CNC(=O)NC5=NC6=C(S5)C=C(C=C6)OC

InChI

InChI=1S/C27H31N3O2S/c1-17-3-5-20(6-4-17)27-13-18-9-19(14-27)12-26(11-18,15-27)16-28-24(31)30-25-29-22-8-7-21(32-2)10-23(22)33-25/h3-8,10,18-19H,9,11-16H2,1-2H3,(H2,28,29,30,31)