N-[2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide

Systemtic Name: N-[2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide Openeye Name: N-[2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide CAS Name: N-[2-[[2-oxo-2-(phenethylamino)ethyl]thio]-1,3-benzothiazol-6-yl]-3-phenylpropanamide IUPAC Name: N-[2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylpropanamide Traditional Name: N-[2-[[2-keto-2-(phenethylamino)ethyl]thio]-1,3-benzothiazol-6-yl]-3-phenyl-propionamide Formula: C26H25N3O2S2 MolecularWeight: 475.6256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O2S2/c30-24(14-11-19-7-3-1-4-8-19)28-21-12-13-22-23(17-21)33-26(29-22)32-18-25(31)27-16-15-20-9-5-2-6-10-20/h1-10,12-13,17H,11,14-16,18H2,(H,27,31)(H,28,30)