N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-1,3-benzothiazole-2-carboxamide

Systemtic Name: N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-1,3-benzothiazole-2-carboxamide Openeye Name: N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-1,3-benzothiazole-2-carboxamide CAS Name: N-[6-methylsulfonyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-1,3-benzothiazole-2-carboxamide IUPAC Name: N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-1,3-benzothiazole-2-carboxamide Traditional Name: N-[6-mesyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-1,3-benzothiazole-2-carboxamide Formula: C19H17N3O3S4 MolecularWeight: 463.61658

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CSCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H17N3O3S4/c1-26-10-9-22-14-8-7-12(29(2,24)25)11-16(14)28-19(22)21-17(23)18-20-13-5-3-4-6-15(13)27-18/h3-8,11H,9-10H2,1-2H3