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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[1-(4-cyclohexylphenyl)ethylideneamino]benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[1-(4-cyclohexylphenyl)ethylideneamino]benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[1-(4-cyclohexylphenyl)ethylideneamino]benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[1-(4-cyclohexylphenyl)ethylideneamino]benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[1-(4-cyclohexylphenyl)ethylideneamino]benzamide Formula: C29H29N3OS2 MolecularWeight: 499.69006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)C5CCCCC5

Isomeric SMILES

CC(=NNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)C5CCCCC5

InChI

InChI=1S/C29H29N3OS2/c1-20(22-15-17-24(18-16-22)23-7-3-2-4-8-23)31-32-28(33)25-13-11-21(12-14-25)19-34-29-30-26-9-5-6-10-27(26)35-29/h5-6,9-18,23H,2-4,7-8,19H2,1H3,(H,32,33)