N-[2-(1-adamantyloxy)ethyl]-2-[(9R)-2-chloranyl-9H-thioxanthen-9-yl]ethanamide

Systemtic Name: N-[2-(1-adamantyloxy)ethyl]-2-[(9R)-2-chloranyl-9H-thioxanthen-9-yl]ethanamide Openeye Name: N-[2-(1-adamantyloxy)ethyl]-2-[(9R)-2-chloro-9H-thioxanthen-9-yl]acetamide CAS Name: N-[2-(1-adamantyloxy)ethyl]-2-[(9R)-2-chloro-9H-thioxanthen-9-yl]acetamide IUPAC Name: N-[2-(1-adamantyloxy)ethyl]-2-[(9R)-2-chloro-9H-thioxanthen-9-yl]acetamide Traditional Name: N-[2-(1-adamantyloxy)ethyl]-2-[(9R)-2-chloro-9H-thioxanthen-9-yl]acetamide Formula: C27H30ClNO2S MolecularWeight: 468.0506

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OCCNC(=O)CC4C5=CC=CC=C5SC6=C4C=C(C=C6)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OCCNC(=O)C[C@@H]4C5=CC=CC=C5SC6=C4C=C(C=C6)Cl

InChI

InChI=1S/C27H30ClNO2S/c28-20-5-6-25-23(12-20)22(21-3-1-2-4-24(21)32-25)13-26(30)29-7-8-31-27-14-17-9-18(15-27)11-19(10-17)16-27/h1-6,12,17-19,22H,7-11,13-16H2,(H,29,30)/t17?,18?,19?,22-,27?/m1/s1