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

Systemtic Name: N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-phenylsulfanyl-butanamide Openeye Name: N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-phenylsulfanyl-butanamide CAS Name: N-[5,7-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-(phenylthio)butanamide IUPAC Name: N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-phenylsulfanylbutanamide Traditional Name: N-[5,7-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-(phenylthio)butyramide Formula: C22H26N2OS3 MolecularWeight: 430.64964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=NC(=O)CCCSC3=CC=CC=C3)S2)CCSC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=NC(=O)CCCSC3=CC=CC=C3)S2)CCSC)C

InChI

InChI=1S/C22H26N2OS3/c1-16-14-17(2)21-19(15-16)24(11-13-26-3)22(28-21)23-20(25)10-7-12-27-18-8-5-4-6-9-18/h4-6,8-9,14-15H,7,10-13H2,1-3H3