N-[6-chloranyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)benzamide

Systemtic Name: N-[6-chloranyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)benzamide Openeye Name: 4-benzyl-N-[6-chloro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide CAS Name: N-[6-chloro-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)benzamide IUPAC Name: 4-benzyl-N-[6-chloro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 4-benzyl-N-[6-chloro-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide Formula: C24H21ClN2OS2 MolecularWeight: 453.01934

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4

Isomeric SMILES

CSCCN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H21ClN2OS2/c1-29-14-13-27-21-12-11-20(25)16-22(21)30-24(27)26-23(28)19-9-7-18(8-10-19)15-17-5-3-2-4-6-17/h2-12,16H,13-15H2,1H3