N-[4-[4-(2-azanyl-2-oxidanylidene-ethyl)phenyl]-1,3-thiazol-2-yl]-4-phenylsulfanyl-butanamide

Systemtic Name: N-[4-[4-(2-azanyl-2-oxidanylidene-ethyl)phenyl]-1,3-thiazol-2-yl]-4-phenylsulfanyl-butanamide Openeye Name: N-[4-[4-(2-amino-2-oxo-ethyl)phenyl]thiazol-2-yl]-4-phenylsulfanyl-butanamide CAS Name: N-[4-[4-(2-amino-2-oxoethyl)phenyl]-2-thiazolyl]-4-(phenylthio)butanamide IUPAC Name: N-[4-[4-(2-amino-2-oxoethyl)phenyl]-1,3-thiazol-2-yl]-4-phenylsulfanylbutanamide Traditional Name: N-[4-[4-(2-amino-2-keto-ethyl)phenyl]thiazol-2-yl]-4-(phenylthio)butyramide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)CC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)SCCCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)CC(=O)N

InChI

InChI=1S/C21H21N3O2S2/c22-19(25)13-15-8-10-16(11-9-15)18-14-28-21(23-18)24-20(26)7-4-12-27-17-5-2-1-3-6-17/h1-3,5-6,8-11,14H,4,7,12-13H2,(H2,22,25)(H,23,24,26)