S-[7-oxidanylidene-7-[(4-phenyl-1,3-thiazol-2-yl)amino]heptyl] (2S)-2-methyl-3-phenyl-propanethioate

Systemtic Name: S-[7-oxidanylidene-7-[(4-phenyl-1,3-thiazol-2-yl)amino]heptyl] (2S)-2-methyl-3-phenyl-propanethioate Openeye Name: S-[7-oxo-7-[(4-phenylthiazol-2-yl)amino]heptyl] (2S)-2-methyl-3-phenyl-propanethioate CAS Name: (2S)-2-methyl-3-phenylpropanethioic acid S-[7-oxo-7-[(4-phenyl-2-thiazolyl)amino]heptyl] ester IUPAC Name: S-[7-oxo-7-[(4-phenyl-1,3-thiazol-2-yl)amino]heptyl] (2S)-2-methyl-3-phenylpropanethioate Traditional Name: (2S)-2-methyl-3-phenyl-propanethioic acid S-[7-keto-7-[(4-phenylthiazol-2-yl)amino]heptyl] ester Formula: C26H30N2O2S2 MolecularWeight: 466.6586

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)C(=O)SCCCCCCC(=O)NC2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](CC1=CC=CC=C1)C(=O)SCCCCCCC(=O)NC2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C26H30N2O2S2/c1-20(18-21-12-6-4-7-13-21)25(30)31-17-11-3-2-10-16-24(29)28-26-27-23(19-32-26)22-14-8-5-9-15-22/h4-9,12-15,19-20H,2-3,10-11,16-18H2,1H3,(H,27,28,29)/t20-/m0/s1