N-[2-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methyl-benzamide

Systemtic Name: N-[2-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methyl-benzamide Openeye Name: N-[2-[2-(3,5-dimethylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methyl-benzamide CAS Name: N-[2-[[2-(3,5-dimethylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-methylbenzamide IUPAC Name: N-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methylbenzamide Traditional Name: N-[2-[[2-(3,5-dimethylanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-2-methyl-benzamide Formula: C25H23N3O2S2 MolecularWeight: 461.59902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC(=CC(=C4)C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC(=CC(=C4)C)C

InChI

InChI=1S/C25H23N3O2S2/c1-15-10-16(2)12-19(11-15)26-23(29)14-31-25-28-21-9-8-18(13-22(21)32-25)27-24(30)20-7-5-4-6-17(20)3/h4-13H,14H2,1-3H3,(H,26,29)(H,27,30)