2-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)ethanamide

Systemtic Name: 2-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)ethanamide Openeye Name: 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)acetamide CAS Name: 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)acetamide Traditional Name: 2-(1,1-diketo-1,4-thiazinan-4-yl)-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]acetamide Formula: C20H25N3O3S3 MolecularWeight: 451.6258

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CN3CCS(=O)(=O)CC3

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CN3CCS(=O)(=O)CC3

InChI

InChI=1S/C20H25N3O3S3/c1-2-3-4-5-6-11-27-20-22-17-8-7-16(14-18(17)28-20)21-19(24)15-23-9-12-29(25,26)13-10-23/h7-8,14H,2-3,6,9-13,15H2,1H3,(H,21,24)