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

Systemtic Name: 2-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)ethanamide Openeye Name: 2-[2-(2,6-dimethylanilino)-2-oxo-ethyl]sulfanyl-N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)acetamide CAS Name: 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]thio]-N-[2-(ethylthio)-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)acetamide Traditional Name: 2-[[2-(2,6-dimethylanilino)-2-keto-ethyl]thio]-N-[2-(ethylthio)-1,3-benzothiazol-6-yl]acetamide Formula: C21H23N3O2S3 MolecularWeight: 445.62122

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSCC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSCC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C21H23N3O2S3/c1-4-28-21-23-16-9-8-15(10-17(16)29-21)22-18(25)11-27-12-19(26)24-20-13(2)6-5-7-14(20)3/h5-10H,4,11-12H2,1-3H3,(H,22,25)(H,24,26)