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

Systemtic Name: S-[7-oxidanylidene-7-[(4-phenyl-1,3-thiazol-2-yl)amino]heptyl] 3-phenyl-2-(phenylmethyl)propanethioate Openeye Name: S-[7-oxo-7-[(4-phenylthiazol-2-yl)amino]heptyl] 2-benzyl-3-phenyl-propanethioate CAS Name: 3-phenyl-2-(phenylmethyl)propanethioic 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] 2-benzyl-3-phenylpropanethioate Traditional Name: 2-benzyl-3-phenyl-propanethioic acid S-[7-keto-7-[(4-phenylthiazol-2-yl)amino]heptyl] ester Formula: C32H34N2O2S2 MolecularWeight: 542.75456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC2=CC=CC=C2)C(=O)SCCCCCCC(=O)NC3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(CC2=CC=CC=C2)C(=O)SCCCCCCC(=O)NC3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C32H34N2O2S2/c35-30(34-32-33-29(24-38-32)27-18-10-5-11-19-27)20-12-1-2-13-21-37-31(36)28(22-25-14-6-3-7-15-25)23-26-16-8-4-9-17-26/h3-11,14-19,24,28H,1-2,12-13,20-23H2,(H,33,34,35)