N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(phenylcarbonyl)benzamide

Systemtic Name: N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(phenylcarbonyl)benzamide Openeye Name: 4-benzoyl-N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 4-benzoyl-N-[5,7-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 4-benzoyl-N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 4-benzoyl-N-[5,7-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide Formula: C26H24N2O2S2 MolecularWeight: 460.61096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4)S2)CCSC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4)S2)CCSC)C

InChI

InChI=1S/C26H24N2O2S2/c1-17-15-18(2)24-22(16-17)28(13-14-31-3)26(32-24)27-25(30)21-11-9-20(10-12-21)23(29)19-7-5-4-6-8-19/h4-12,15-16H,13-14H2,1-3H3