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

Systemtic Name: N-[4-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]pentanamide Openeye Name: N-[4-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-1-phenyl-ethyl]sulfanylphenyl]pentanamide CAS Name: N-[4-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-1-phenylethyl]thio]phenyl]pentanamide IUPAC Name: N-[4-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide Traditional Name: N-[4-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-keto-1-phenyl-ethyl]thio]phenyl]valeramide Formula: C28H29N3O3S2 MolecularWeight: 519.67816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)SC(C2=CC=CC=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)OCC

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)SC(C2=CC=CC=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)OCC

InChI

InChI=1S/C28H29N3O3S2/c1-3-5-11-25(32)29-20-12-15-22(16-13-20)35-26(19-9-7-6-8-10-19)27(33)31-28-30-23-17-14-21(34-4-2)18-24(23)36-28/h6-10,12-18,26H,3-5,11H2,1-2H3,(H,29,32)(H,30,31,33)