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

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

CC(C1=CC=CC=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O2S2/c1-18(20-10-6-3-7-11-20)27-25(31)17-32-26-29-22-14-13-21(16-23(22)33-26)28-24(30)15-12-19-8-4-2-5-9-19/h2-11,13-14,16,18H,12,15,17H2,1H3,(H,27,31)(H,28,30)