N-[(2S)-1-[[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl]-4-tert-butyl-benzamide

Systemtic Name: N-[(2S)-1-[[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl]-4-tert-butyl-benzamide Openeye Name: N-[(1S)-2-[[4-(1-adamantylmethyl)thiazol-2-yl]amino]-1-methyl-2-oxo-ethyl]-4-tert-butyl-benzamide CAS Name: N-[(2S)-1-[[4-(1-adamantylmethyl)-2-thiazolyl]amino]-1-oxopropan-2-yl]-4-tert-butylbenzamide IUPAC Name: N-[(2S)-1-[[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-4-tert-butylbenzamide Traditional Name: N-[(1S)-2-[[4-(1-adamantylmethyl)thiazol-2-yl]amino]-2-keto-1-methyl-ethyl]-4-tert-butyl-benzamide Formula: C28H37N3O2S MolecularWeight: 479.67728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)CC23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NC1=NC(=CS1)CC23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C28H37N3O2S/c1-17(29-25(33)21-5-7-22(8-6-21)27(2,3)4)24(32)31-26-30-23(16-34-26)15-28-12-18-9-19(13-28)11-20(10-18)14-28/h5-8,16-20H,9-15H2,1-4H3,(H,29,33)(H,30,31,32)/t17-,18?,19?,20?,28?/m0/s1