1-(1,3-benzothiazol-2-yl)-3-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]urea

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-3-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]urea Openeye Name: 1-(1,3-benzothiazol-2-yl)-3-[(5S,7R)-3-(p-tolyl)-1-adamantyl]urea CAS Name: 1-(1,3-benzothiazol-2-yl)-3-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]urea IUPAC Name: 1-(1,3-benzothiazol-2-yl)-3-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]urea Traditional Name: 1-(1,3-benzothiazol-2-yl)-3-[(5S,7R)-3-(p-tolyl)-1-adamantyl]urea Formula: C25H27N3OS MolecularWeight: 417.56638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)NC(=O)NC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C25H27N3OS/c1-16-6-8-19(9-7-16)24-11-17-10-18(12-24)14-25(13-17,15-24)28-22(29)27-23-26-20-4-2-3-5-21(20)30-23/h2-9,17-18H,10-15H2,1H3,(H2,26,27,28,29)/t17-,18+,24?,25?