N-[(1S)-1-(1-adamantyl)-2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxidanylidene-ethyl]cyclohexanecarboxamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)-2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxidanylidene-ethyl]cyclohexanecarboxamide Openeye Name: N-[(1S)-1-(1-adamantyl)-2-(4,5-dihydrothiazol-2-ylamino)-2-oxo-ethyl]cyclohexanecarboxamide CAS Name: N-[(1S)-1-(1-adamantyl)-2-(4,5-dihydrothiazol-2-ylamino)-2-oxoethyl]cyclohexanecarboxamide IUPAC Name: N-[(1S)-1-(1-adamantyl)-2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]cyclohexanecarboxamide Traditional Name: N-[(1S)-1-(1-adamantyl)-2-keto-2-(2-thiazolin-2-ylamino)ethyl]cyclohexanecarboxamide Formula: C22H33N3O2S MolecularWeight: 403.58132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC(C(=O)NC2=NCCS2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCC(CC1)C(=O)N[C@H](C(=O)NC2=NCCS2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H33N3O2S/c26-19(17-4-2-1-3-5-17)24-18(20(27)25-21-23-6-7-28-21)22-11-14-8-15(12-22)10-16(9-14)13-22/h14-18H,1-13H2,(H,24,26)(H,23,25,27)/t14?,15?,16?,18-,22?/m1/s1