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

Systemtic Name: N-[4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[[4-(4-acetamidophenyl)thiazol-2-yl]amino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[[4-(4-acetamidophenyl)-2-thiazolyl]amino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-[[4-(4-acetamidophenyl)thiazol-2-yl]amino]-4-keto-butyl]adamantane-1-carboxamide Formula: C26H32N4O3S MolecularWeight: 480.62228

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H32N4O3S/c1-16(31)28-21-6-4-20(5-7-21)22-15-34-25(29-22)30-23(32)3-2-8-27-24(33)26-12-17-9-18(13-26)11-19(10-17)14-26/h4-7,15,17-19H,2-3,8-14H2,1H3,(H,27,33)(H,28,31)(H,29,30,32)