N-[4-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]pentanamide

Systemtic Name: N-[4-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]pentanamide Openeye Name: N-[4-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanylphenyl]pentanamide CAS Name: N-[4-[[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]phenyl]pentanamide IUPAC Name: N-[4-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]pentanamide Traditional Name: N-[4-[[2-keto-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]thio]phenyl]valeramide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)C

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)C

InChI

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