N-[[4-[[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[[3-(2-thioxo-1H-imidazol-3-yl)phenyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[oxo-[3-(2-sulfanylidene-1H-imidazol-3-yl)anilino]methyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[[3-(2-thioxo-4-imidazolin-1-yl)phenyl]carbamoyl]benzyl]adamantane-1-carboxamide Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NC5=CC=CC(=C5)N6C=CNC6=S

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NC5=CC=CC(=C5)N6C=CNC6=S

InChI

InChI=1S/C28H30N4O2S/c33-25(31-23-2-1-3-24(13-23)32-9-8-29-27(32)35)22-6-4-18(5-7-22)17-30-26(34)28-14-19-10-20(15-28)12-21(11-19)16-28/h1-9,13,19-21H,10-12,14-17H2,(H,29,35)(H,30,34)(H,31,33)