2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[4-[(2S)-butan-2-yl]phenyl]benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[4-[(2S)-butan-2-yl]phenyl]benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-[4-[(1S)-1-methylpropyl]phenyl]benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-[4-[(2S)-butan-2-yl]phenyl]benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-[4-[(2S)-butan-2-yl]phenyl]benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-[4-[(1S)-1-methylpropyl]phenyl]benzamide Formula: C29H36N2O2S MolecularWeight: 476.67334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H36N2O2S/c1-3-19(2)23-8-10-24(11-9-23)30-28(33)25-6-4-5-7-26(25)34-18-27(32)31-29-15-20-12-21(16-29)14-22(13-20)17-29/h4-11,19-22H,3,12-18H2,1-2H3,(H,30,33)(H,31,32)/t19-,20?,21?,22?,29?/m0/s1