4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-2-ethylbutylideneamino]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3OS2/c1-3-15(4-2)13-22-24-20(25)17-11-9-16(10-12-17)14-26-21-23-18-7-5-6-8-19(18)27-21/h5-13,15H,3-4,14H2,1-2H3,(H,24,25)/b22-13-