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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S2/c1-3-4-9-19(25)22-15-10-12-16(13-11-15)27-14(2)20(26)24-21-23-17-7-5-6-8-18(17)28-21/h5-8,10-14H,3-4,9H2,1-2H3,(H,22,25)(H,23,24,26)