N-[2-[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]-4-bromanyl-benzamide

Systemtic Name: N-[2-[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]-4-bromanyl-benzamide Openeye Name: N-[2-[[4-(1-adamantyl)thiazol-2-yl]amino]-2-oxo-ethyl]-4-bromo-benzamide CAS Name: N-[2-[[4-(1-adamantyl)-2-thiazolyl]amino]-2-oxoethyl]-4-bromobenzamide IUPAC Name: N-[2-[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-bromobenzamide Traditional Name: N-[2-[[4-(1-adamantyl)thiazol-2-yl]amino]-2-keto-ethyl]-4-bromo-benzamide Formula: C22H24BrN3O2S MolecularWeight: 474.41386

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)CNC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)CNC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C22H24BrN3O2S/c23-17-3-1-16(2-4-17)20(28)24-11-19(27)26-21-25-18(12-29-21)22-8-13-5-14(9-22)7-15(6-13)10-22/h1-4,12-15H,5-11H2,(H,24,28)(H,25,26,27)