S-[1-(cyclopropylamino)-1-oxidanylidene-4-(4-phenylphenyl)butan-2-yl] ethanethioate

Systemtic Name: S-[1-(cyclopropylamino)-1-oxidanylidene-4-(4-phenylphenyl)butan-2-yl] ethanethioate Openeye Name: S-[1-(cyclopropylcarbamoyl)-3-(4-phenylphenyl)propyl] ethanethioate CAS Name: ethanethioic acid S-[1-(cyclopropylamino)-1-oxo-4-(4-phenylphenyl)butan-2-yl] ester IUPAC Name: S-[1-(cyclopropylamino)-1-oxo-4-(4-phenylphenyl)butan-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-(cyclopropylcarbamoyl)-3-(4-phenylphenyl)propyl] ester Formula: C21H23NO2S MolecularWeight: 353.47782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CCC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

CC(=O)SC(CCC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C21H23NO2S/c1-15(23)25-20(21(24)22-19-12-13-19)14-9-16-7-10-18(11-8-16)17-5-3-2-4-6-17/h2-8,10-11,19-20H,9,12-14H2,1H3,(H,22,24)