S-[3-phenyl-2-[[(1R)-1-phenylethyl]carbamoyl]butyl] benzenecarbothioate

Systemtic Name: S-[3-phenyl-2-[[(1R)-1-phenylethyl]carbamoyl]butyl] benzenecarbothioate Openeye Name: S-[3-phenyl-2-[[(1R)-1-phenylethyl]carbamoyl]butyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[oxo-[[(1R)-1-phenylethyl]amino]methyl]-3-phenylbutyl] ester IUPAC Name: S-[3-phenyl-2-[[(1R)-1-phenylethyl]carbamoyl]butyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[3-phenyl-2-[[(1R)-1-phenylethyl]carbamoyl]butyl] ester Formula: C26H27NO2S MolecularWeight: 417.56308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(CSC(=O)C2=CC=CC=C2)C(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)C(CSC(=O)C2=CC=CC=C2)C(C)C3=CC=CC=C3

InChI

InChI=1S/C26H27NO2S/c1-19(21-12-6-3-7-13-21)24(18-30-26(29)23-16-10-5-11-17-23)25(28)27-20(2)22-14-8-4-9-15-22/h3-17,19-20,24H,18H2,1-2H3,(H,27,28)/t19?,20-,24?/m1/s1