N-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]pentanamide

Systemtic Name: N-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]pentanamide Openeye Name: N-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanylphenyl]pentanamide CAS Name: N-[4-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]phenyl]pentanamide IUPAC Name: N-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanylphenyl]pentanamide Traditional Name: N-[4-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]phenyl]valeramide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H21N3O2S2/c1-2-3-8-18(24)21-14-9-11-15(12-10-14)26-13-19(25)23-20-22-16-6-4-5-7-17(16)27-20/h4-7,9-12H,2-3,8,13H2,1H3,(H,21,24)(H,22,23,25)