N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-ethylsulfonyl-benzamide

Systemtic Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-ethylsulfonyl-benzamide Openeye Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-ethylsulfonyl-benzamide CAS Name: N-[5,6-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-ethylsulfonylbenzamide IUPAC Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-ethylsulfonylbenzamide Traditional Name: N-[5,6-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-esyl-benzamide Formula: C21H24N2O3S3 MolecularWeight: 448.62186

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C(=C3)C)C)CCSC

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C(=C3)C)C)CCSC

InChI

InChI=1S/C21H24N2O3S3/c1-5-29(25,26)17-8-6-7-16(13-17)20(24)22-21-23(9-10-27-4)18-11-14(2)15(3)12-19(18)28-21/h6-8,11-13H,5,9-10H2,1-4H3