4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(heptan-4-ylideneamino)benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(heptan-4-ylideneamino)benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(1-propylbutylideneamino)benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-(heptan-4-ylideneamino)benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(heptan-4-ylideneamino)benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-(1-propylbutylideneamino)benzamide Formula: C22H25N3OS2 MolecularWeight: 411.5834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3OS2/c1-3-7-18(8-4-2)24-25-21(26)17-13-11-16(12-14-17)15-27-22-23-19-9-5-6-10-20(19)28-22/h5-6,9-14H,3-4,7-8,15H2,1-2H3,(H,25,26)