N-[[4-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[(4-thiazol-2-ylphenyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[oxo-[4-(2-thiazolyl)anilino]methyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[(4-thiazol-2-ylphenyl)carbamoyl]benzyl]adamantane-1-carboxamide Formula: C28H29N3O2S MolecularWeight: 471.61376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NC5=CC=C(C=C5)C6=NC=CS6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NC5=CC=C(C=C5)C6=NC=CS6

InChI

InChI=1S/C28H29N3O2S/c32-25(31-24-7-5-23(6-8-24)26-29-9-10-34-26)22-3-1-18(2-4-22)17-30-27(33)28-14-19-11-20(15-28)13-21(12-19)16-28/h1-10,19-21H,11-17H2,(H,30,33)(H,31,32)