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

Systemtic Name: N-[2-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-ethyl-butanamide Openeye Name: N-[2-[2-(3,5-dimethylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-ethyl-butanamide CAS Name: N-[2-[[2-(3,5-dimethylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-ethylbutanamide IUPAC Name: N-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-ethylbutanamide Traditional Name: N-[2-[[2-(3,5-dimethylanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-2-ethyl-butyramide Formula: C23H27N3O2S2 MolecularWeight: 441.60938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCC(CC)C(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C23H27N3O2S2/c1-5-16(6-2)22(28)25-17-7-8-19-20(12-17)30-23(26-19)29-13-21(27)24-18-10-14(3)9-15(4)11-18/h7-12,16H,5-6,13H2,1-4H3,(H,24,27)(H,25,28)