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

Systemtic Name: N-[2-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]pentanamide Openeye Name: N-[2-[2-(3,5-dimethylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]pentanamide CAS Name: N-[2-[[2-(3,5-dimethylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]pentanamide IUPAC Name: N-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]pentanamide Traditional Name: N-[2-[[2-(3,5-dimethylanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]valeramide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S2/c1-4-5-6-20(26)23-16-7-8-18-19(12-16)29-22(25-18)28-13-21(27)24-17-10-14(2)9-15(3)11-17/h7-12H,4-6,13H2,1-3H3,(H,23,26)(H,24,27)