4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-methyl-benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-methyl-benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[2-(tert-butylamino)-2-oxo-ethyl]-N-methyl-benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[2-(tert-butylamino)-2-keto-ethyl]-N-methyl-benzamide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN(C)C(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)NC(=O)CN(C)C(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H25N3O2S2/c1-22(2,3)24-19(26)13-25(4)20(27)16-11-9-15(10-12-16)14-28-21-23-17-7-5-6-8-18(17)29-21/h5-12H,13-14H2,1-4H3,(H,24,26)