2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(4-chloro-2-methoxy-5-methyl-phenyl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(4-chloro-2-methoxy-5-methyl-phenyl)benzamide Formula: C27H31ClN2O3S MolecularWeight: 499.06464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H31ClN2O3S/c1-16-7-22(23(33-2)11-21(16)28)29-26(32)20-5-3-4-6-24(20)34-15-25(31)30-27-12-17-8-18(13-27)10-19(9-17)14-27/h3-7,11,17-19H,8-10,12-15H2,1-2H3,(H,29,32)(H,30,31)