N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-pentoxy-benzamide

Systemtic Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-pentoxy-benzamide Openeye Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-pentoxy-benzamide CAS Name: N-[5,6-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-pentoxybenzamide IUPAC Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-pentoxybenzamide Traditional Name: 3-amoxy-N-[5,6-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide Formula: C24H30N2O2S2 MolecularWeight: 442.6372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C(=C3)C)C)CCSC

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C(=C3)C)C)CCSC

InChI

InChI=1S/C24H30N2O2S2/c1-5-6-7-12-28-20-10-8-9-19(16-20)23(27)25-24-26(11-13-29-4)21-14-17(2)18(3)15-22(21)30-24/h8-10,14-16H,5-7,11-13H2,1-4H3