2-[2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-naphthalen-2-yl-ethanamide

Systemtic Name: 2-[2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-naphthalen-2-yl-ethanamide Openeye Name: 2-[2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxo-ethyl]sulfanyl-N-(2-naphthyl)acetamide CAS Name: 2-[[2-[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]-2-oxoethyl]thio]-N-(2-naphthalenyl)acetamide IUPAC Name: 2-[2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide Traditional Name: 2-[[2-keto-2-[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]ethyl]thio]-N-(2-naphthyl)acetamide Formula: C22H19N3O2S3 MolecularWeight: 453.60016

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSCC(=O)NC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSCC(=O)NC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H19N3O2S3/c1-28-22-25-18-9-8-17(11-19(18)30-22)24-21(27)13-29-12-20(26)23-16-7-6-14-4-2-3-5-15(14)10-16/h2-11H,12-13H2,1H3,(H,23,26)(H,24,27)