N-[3-(1-adamantylcarbamoylamino)propyl]-2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[3-(1-adamantylcarbamoylamino)propyl]-2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-[3-(1-adamantylcarbamoylamino)propyl]-2-[(3,5-dimethylphenoxy)methyl]thiazole-4-carboxamide CAS Name: N-[3-[[(1-adamantylamino)-oxomethyl]amino]propyl]-2-[(3,5-dimethylphenoxy)methyl]-4-thiazolecarboxamide IUPAC Name: N-[3-(1-adamantylcarbamoylamino)propyl]-2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-[3-(1-adamantylcarbamoylamino)propyl]-2-[(3,5-dimethylphenoxy)methyl]thiazole-4-carboxamide Formula: C27H36N4O3S MolecularWeight: 496.66474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC2=NC(=CS2)C(=O)NCCCNC(=O)NC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC2=NC(=CS2)C(=O)NCCCNC(=O)NC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C27H36N4O3S/c1-17-6-18(2)8-22(7-17)34-15-24-30-23(16-35-24)25(32)28-4-3-5-29-26(33)31-27-12-19-9-20(13-27)11-21(10-19)14-27/h6-8,16,19-21H,3-5,9-15H2,1-2H3,(H,28,32)(H2,29,31,33)