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

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[4-(4-methylphenoxy)phenyl]benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-[4-(4-methylphenoxy)phenyl]benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-[4-(4-methylphenoxy)phenyl]benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-[4-(4-methylphenoxy)phenyl]benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-[4-(4-methylphenoxy)phenyl]benzamide Formula: C32H34N2O3S MolecularWeight: 526.68896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C32H34N2O3S/c1-21-6-10-26(11-7-21)37-27-12-8-25(9-13-27)33-31(36)28-4-2-3-5-29(28)38-20-30(35)34-32-17-22-14-23(18-32)16-24(15-22)19-32/h2-13,22-24H,14-20H2,1H3,(H,33,36)(H,34,35)