4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide Formula: C27H27N3OS2 MolecularWeight: 473.65278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(=NNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H27N3OS2/c1-18(20-13-15-22(16-14-20)27(2,3)4)29-30-25(31)21-11-9-19(10-12-21)17-32-26-28-23-7-5-6-8-24(23)33-26/h5-16H,17H2,1-4H3,(H,30,31)