2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-butyl-N-[(3S)-1,1-dioxo-3-thiolanyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-butyl-N-[(3S)-1,1-diketothiolan-3-yl]acetamide Formula: C17H22N2O3S3 MolecularWeight: 398.56318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCN([C@H]1CCS(=O)(=O)C1)C(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H22N2O3S3/c1-2-3-9-19(13-8-10-25(21,22)12-13)16(20)11-23-17-18-14-6-4-5-7-15(14)24-17/h4-7,13H,2-3,8-12H2,1H3/t13-/m0/s1