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

Systemtic Name: N-[2-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide Openeye Name: N-[2-[2-(2,6-dimethylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide CAS Name: N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]butanamide IUPAC Name: N-[2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide Traditional Name: N-[2-[[2-(2,6-dimethylanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]butyramide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C21H23N3O2S2/c1-4-6-18(25)22-15-9-10-16-17(11-15)28-21(23-16)27-12-19(26)24-20-13(2)7-5-8-14(20)3/h5,7-11H,4,6,12H2,1-3H3,(H,22,25)(H,24,26)