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

Systemtic Name: S-[3-phenyl-2-[[(1S)-1-phenylethyl]carbamoyl]butyl] ethanethioate Openeye Name: S-[3-phenyl-2-[[(1S)-1-phenylethyl]carbamoyl]butyl] ethanethioate CAS Name: ethanethioic acid S-[2-[oxo-[[(1S)-1-phenylethyl]amino]methyl]-3-phenylbutyl] ester IUPAC Name: S-[3-phenyl-2-[[(1S)-1-phenylethyl]carbamoyl]butyl] ethanethioate Traditional Name: ethanethioic acid S-[3-phenyl-2-[[(1S)-1-phenylethyl]carbamoyl]butyl] ester Formula: C21H25NO2S MolecularWeight: 355.4937

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO2S/c1-15(18-10-6-4-7-11-18)20(14-25-17(3)23)21(24)22-16(2)19-12-8-5-9-13-19/h4-13,15-16,20H,14H2,1-3H3,(H,22,24)/t15?,16-,20?/m0/s1