N-(1,3-benzothiazol-2-yl)-2-[4-(2-phenylethanoylamino)phenyl]sulfanyl-propanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[4-(2-phenylethanoylamino)phenyl]sulfanyl-propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanyl-propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[[4-[(1-oxo-2-phenylethyl)amino]phenyl]thio]propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[[4-[(2-phenylacetyl)amino]phenyl]thio]propionamide Formula: C24H21N3O2S2 MolecularWeight: 447.57244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=CC=C(C=C3)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=CC=C(C=C3)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H21N3O2S2/c1-16(23(29)27-24-26-20-9-5-6-10-21(20)31-24)30-19-13-11-18(12-14-19)25-22(28)15-17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,25,28)(H,26,27,29)