N-[(1S)-1-(1-adamantyl)ethyl]-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)ethyl]-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-[(1S)-1-(1-adamantyl)ethyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-[(1S)-1-(1-adamantyl)ethyl]-4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-[(1S)-1-(1-adamantyl)ethyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-[(1S)-1-(1-adamantyl)ethyl]-4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzamide Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=C(C=C4)NC(=O)CSC5=NC=CN5C

Isomeric SMILES

C[C@@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=C(C=C4)NC(=O)CSC5=NC=CN5C

InChI

InChI=1S/C25H32N4O2S/c1-16(25-12-17-9-18(13-25)11-19(10-17)14-25)27-23(31)20-3-5-21(6-4-20)28-22(30)15-32-24-26-7-8-29(24)2/h3-8,16-19H,9-15H2,1-2H3,(H,27,31)(H,28,30)/t16-,17?,18?,19?,25?/m0/s1