4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-3-methylpentan-2-ylideneamino]benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-3-methylpentan-2-ylideneamino]benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-1,2-dimethylbutylideneamino]benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(E)-3-methylpentan-2-ylideneamino]benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-3-methylpentan-2-ylideneamino]benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(E)-1,2-dimethylbutylideneamino]benzamide Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=NNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCC(C)/C(=N/NC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2)/C

InChI

InChI=1S/C21H23N3OS2/c1-4-14(2)15(3)23-24-20(25)17-11-9-16(10-12-17)13-26-21-22-18-7-5-6-8-19(18)27-21/h5-12,14H,4,13H2,1-3H3,(H,24,25)/b23-15+