N-[4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]amino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]amino]-4-keto-butyl]adamantane-1-carboxamide Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C26H33N3O4S/c1-32-21-6-5-19(11-22(21)33-2)20-15-34-25(28-20)29-23(30)4-3-7-27-24(31)26-12-16-8-17(13-26)10-18(9-16)14-26/h5-6,11,15-18H,3-4,7-10,12-14H2,1-2H3,(H,27,31)(H,28,29,30)