4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-(1,1-dioxo-3-thiolanyl)-N-ethylbenzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-(1,1-diketothiolan-3-yl)-N-ethyl-benzamide Formula: C21H22N2O3S3 MolecularWeight: 446.60598

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O3S3/c1-2-23(17-11-12-29(25,26)14-17)20(24)16-9-7-15(8-10-16)13-27-21-22-18-5-3-4-6-19(18)28-21/h3-10,17H,2,11-14H2,1H3