N-(4-acetamidophenyl)-2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-benzamide

Systemtic Name: N-(4-acetamidophenyl)-2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-benzamide Openeye Name: N-(4-acetamidophenyl)-2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-benzamide CAS Name: N-(4-acetamidophenyl)-2-[[2-(1-adamantylamino)-2-oxoethyl]thio]benzamide IUPAC Name: N-(4-acetamidophenyl)-2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzamide Traditional Name: N-(4-acetamidophenyl)-2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]benzamide Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H31N3O3S/c1-17(31)28-21-6-8-22(9-7-21)29-26(33)23-4-2-3-5-24(23)34-16-25(32)30-27-13-18-10-19(14-27)12-20(11-18)15-27/h2-9,18-20H,10-16H2,1H3,(H,28,31)(H,29,33)(H,30,32)