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

Systemtic Name: N-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,3-benzothiazol-6-yl]pentanamide Openeye Name: N-[2-(2-anilino-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-6-yl]pentanamide CAS Name: N-[2-[(2-anilino-2-oxoethyl)thio]-1,3-benzothiazol-6-yl]pentanamide IUPAC Name: N-[2-(2-anilino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]pentanamide Traditional Name: N-[2-[(2-anilino-2-keto-ethyl)thio]-1,3-benzothiazol-6-yl]valeramide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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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

Isomeric SMILES

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

InChI

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