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

Systemtic Name: N-[2-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide Openeye Name: N-[2-[2-(3,5-dimethylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide CAS Name: N-[2-[[2-(3,5-dimethylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]butanamide IUPAC Name: N-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide Traditional Name: N-[2-[[2-(3,5-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=CC(=CC(=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S2/c1-4-5-19(25)22-15-6-7-17-18(11-15)28-21(24-17)27-12-20(26)23-16-9-13(2)8-14(3)10-16/h6-11H,4-5,12H2,1-3H3,(H,22,25)(H,23,26)