N-(4-methylsulfanyl-1-oxidanylidene-1-piperidin-1-yl-butan-2-yl)-5-oxidanylidene-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

Systemtic Name: N-(4-methylsulfanyl-1-oxidanylidene-1-piperidin-1-yl-butan-2-yl)-5-oxidanylidene-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide Openeye Name: N-[3-methylsulfanyl-1-(piperidine-1-carbonyl)propyl]-5-oxo-3,9b-dihydro-2H-thiazolo[2,3-a]isoindole-3-carboxamide CAS Name: N-[4-(methylthio)-1-oxo-1-(1-piperidinyl)butan-2-yl]-5-oxo-3,9b-dihydro-2H-thiazolo[2,3-a]isoindole-3-carboxamide IUPAC Name: N-(4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide Traditional Name: 5-keto-N-[3-(methylthio)-1-(piperidine-1-carbonyl)propyl]-3,9b-dihydro-2H-thiazol[2,3-a]isoindole-3-carboxamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCCCC1)NC(=O)C2CSC3N2C(=O)C4=CC=CC=C34

Isomeric SMILES

CSCCC(C(=O)N1CCCCC1)NC(=O)C2CSC3N2C(=O)C4=CC=CC=C34

InChI

InChI=1S/C21H27N3O3S2/c1-28-12-9-16(20(27)23-10-5-2-6-11-23)22-18(25)17-13-29-21-15-8-4-3-7-14(15)19(26)24(17)21/h3-4,7-8,16-17,21H,2,5-6,9-13H2,1H3,(H,22,25)