tert-butyl N-[2-(2-oxidanylidene-4-thioxanthen-9-ylidene-piperidin-1-yl)ethyl]carbamate

Systemtic Name: tert-butyl N-[2-(2-oxidanylidene-4-thioxanthen-9-ylidene-piperidin-1-yl)ethyl]carbamate Openeye Name: tert-butyl N-[2-(2-oxo-4-thioxanthen-9-ylidene-1-piperidyl)ethyl]carbamate CAS Name: N-[2-[2-oxo-4-(9-thioxanthenylidene)-1-piperidinyl]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(2-oxo-4-thioxanthen-9-ylidenepiperidin-1-yl)ethyl]carbamate Traditional Name: N-[2-(2-keto-4-thioxanthen-9-ylidene-piperidino)ethyl]carbamic acid tert-butyl ester Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCN1CCC(=C2C3=CC=CC=C3SC4=CC=CC=C42)CC1=O

Isomeric SMILES

CC(C)(C)OC(=O)NCCN1CCC(=C2C3=CC=CC=C3SC4=CC=CC=C42)CC1=O

InChI

InChI=1S/C25H28N2O3S/c1-25(2,3)30-24(29)26-13-15-27-14-12-17(16-22(27)28)23-18-8-4-6-10-20(18)31-21-11-7-5-9-19(21)23/h4-11H,12-16H2,1-3H3,(H,26,29)