2-(2-anthracen-9-yl-2-oxidanyl-ethyl)-N,N-di(propan-2-yl)benzenecarbothioamide

Systemtic Name: 2-(2-anthracen-9-yl-2-oxidanyl-ethyl)-N,N-di(propan-2-yl)benzenecarbothioamide Openeye Name: 2-[2-(9-anthryl)-2-hydroxy-ethyl]-N,N-diisopropyl-benzenecarbothioamide CAS Name: 2-[2-(9-anthracenyl)-2-hydroxyethyl]-N,N-di(propan-2-yl)benzenecarbothioamide IUPAC Name: 2-(2-anthracen-9-yl-2-hydroxyethyl)-N,N-di(propan-2-yl)benzenecarbothioamide Traditional Name: 2-[2-(9-anthryl)-2-hydroxy-ethyl]-N,N-diisopropyl-thiobenzamide Formula: C29H31NOS MolecularWeight: 441.62754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=S)C1=CC=CC=C1CC(C2=C3C=CC=CC3=CC4=CC=CC=C42)O

Isomeric SMILES

CC(C)N(C(C)C)C(=S)C1=CC=CC=C1CC(C2=C3C=CC=CC3=CC4=CC=CC=C42)O

InChI

InChI=1S/C29H31NOS/c1-19(2)30(20(3)4)29(32)26-16-10-7-13-23(26)18-27(31)28-24-14-8-5-11-21(24)17-22-12-6-9-15-25(22)28/h5-17,19-20,27,31H,18H2,1-4H3