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

Systemtic Name: N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1,3-benzothiazole-6-carboxamide CAS Name: N-[6-ethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[6-ethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-1,3-benzothiazole-6-carboxamide Formula: C20H19N3OS3 MolecularWeight: 413.57936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(C=C3)N=CS4)S2)CCSC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(C=C3)N=CS4)S2)CCSC

InChI

InChI=1S/C20H19N3OS3/c1-3-13-4-7-16-18(10-13)27-20(23(16)8-9-25-2)22-19(24)14-5-6-15-17(11-14)26-12-21-15/h4-7,10-12H,3,8-9H2,1-2H3