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

Systemtic Name: N-[[4-[[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[[4-(2-amino-2-oxo-ethyl)thiazol-2-yl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[[[4-(2-amino-2-oxoethyl)-2-thiazolyl]amino]-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[[4-(2-amino-2-keto-ethyl)thiazol-2-yl]carbamoyl]benzyl]adamantane-1-carboxamide Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NC5=NC(=CS5)CC(=O)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NC5=NC(=CS5)CC(=O)N

InChI

InChI=1S/C24H28N4O3S/c25-20(29)8-19-13-32-23(27-19)28-21(30)18-3-1-14(2-4-18)12-26-22(31)24-9-15-5-16(10-24)7-17(6-15)11-24/h1-4,13,15-17H,5-12H2,(H2,25,29)(H,26,31)(H,27,28,30)