N-[4-(2-azanyl-1,3-thiazol-4-yl)phenyl]-2-[2-(2,6-dimethylphenyl)sulfanylethanoyl-(phenylmethyl)amino]ethanamide

Systemtic Name: N-[4-(2-azanyl-1,3-thiazol-4-yl)phenyl]-2-[2-(2,6-dimethylphenyl)sulfanylethanoyl-(phenylmethyl)amino]ethanamide Openeye Name: N-[4-(2-aminothiazol-4-yl)phenyl]-2-[benzyl-[2-(2,6-dimethylphenyl)sulfanylacetyl]amino]acetamide CAS Name: N-[4-(2-amino-4-thiazolyl)phenyl]-2-[[2-[(2,6-dimethylphenyl)thio]-1-oxoethyl]-(phenylmethyl)amino]acetamide IUPAC Name: N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[benzyl-[2-(2,6-dimethylphenyl)sulfanylacetyl]amino]acetamide Traditional Name: N-[4-(2-aminothiazol-4-yl)phenyl]-2-[benzyl-[2-[(2,6-dimethylphenyl)thio]acetyl]amino]acetamide Formula: C28H28N4O2S2 MolecularWeight: 516.67752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)SCC(=O)N(CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N

Isomeric SMILES

CC1=C(C(=CC=C1)C)SCC(=O)N(CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N

InChI

InChI=1S/C28H28N4O2S2/c1-19-7-6-8-20(2)27(19)35-18-26(34)32(15-21-9-4-3-5-10-21)16-25(33)30-23-13-11-22(12-14-23)24-17-36-28(29)31-24/h3-14,17H,15-16,18H2,1-2H3,(H2,29,31)(H,30,33)