2,2-dimethyl-N-[1-oxidanyl-4-oxidanylidene-2-(4-thioxanthen-9-ylidenepiperidin-1-yl)butan-2-yl]propanamide

Systemtic Name: 2,2-dimethyl-N-[1-oxidanyl-4-oxidanylidene-2-(4-thioxanthen-9-ylidenepiperidin-1-yl)butan-2-yl]propanamide Openeye Name: N-[1-(hydroxymethyl)-3-oxo-1-(4-thioxanthen-9-ylidene-1-piperidyl)propyl]-2,2-dimethyl-propanamide CAS Name: N-[1-hydroxy-4-oxo-2-[4-(9-thioxanthenylidene)-1-piperidinyl]butan-2-yl]-2,2-dimethylpropanamide IUPAC Name: N-[1-hydroxy-4-oxo-2-(4-thioxanthen-9-ylidenepiperidin-1-yl)butan-2-yl]-2,2-dimethylpropanamide Traditional Name: N-[3-keto-1-methylol-1-(4-thioxanthen-9-ylidenepiperidino)propyl]-2,2-dimethyl-propionamide Formula: C27H32N2O3S MolecularWeight: 464.61958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(CC=O)(CO)N1CCC(=C2C3=CC=CC=C3SC4=CC=CC=C42)CC1

Isomeric SMILES

CC(C)(C)C(=O)NC(CC=O)(CO)N1CCC(=C2C3=CC=CC=C3SC4=CC=CC=C42)CC1

InChI

InChI=1S/C27H32N2O3S/c1-26(2,3)25(32)28-27(18-31,14-17-30)29-15-12-19(13-16-29)24-20-8-4-6-10-22(20)33-23-11-7-5-9-21(23)24/h4-11,17,31H,12-16,18H2,1-3H3,(H,28,32)