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

Systemtic Name: N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-phenylsulfanyl-propanamide Openeye Name: N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-phenylsulfanyl-propanamide CAS Name: N-[5,7-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(phenylthio)propanamide IUPAC Name: N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-phenylsulfanylpropanamide Traditional Name: N-[5,7-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(phenylthio)propionamide Formula: C21H24N2OS3 MolecularWeight: 416.62306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=NC(=O)CCSC3=CC=CC=C3)S2)CCSC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=NC(=O)CCSC3=CC=CC=C3)S2)CCSC)C

InChI

InChI=1S/C21H24N2OS3/c1-15-13-16(2)20-18(14-15)23(10-12-25-3)21(27-20)22-19(24)9-11-26-17-7-5-4-6-8-17/h4-8,13-14H,9-12H2,1-3H3