S-[bis[4-(2-dimethylaminoethyl)phenyl]phosphanylmethyl] (2S)-2-acetamidopropanethioate

Systemtic Name: S-[bis[4-(2-dimethylaminoethyl)phenyl]phosphanylmethyl] (2S)-2-acetamidopropanethioate Openeye Name: S-[bis[4-(2-dimethylaminoethyl)phenyl]phosphanylmethyl] (2S)-2-acetamidopropanethioate CAS Name: (2S)-2-acetamidopropanethioic acid S-[bis[4-(2-dimethylaminoethyl)phenyl]phosphinomethyl] ester IUPAC Name: S-[bis[4-(2-dimethylaminoethyl)phenyl]phosphanylmethyl] (2S)-2-acetamidopropanethioate Traditional Name: (2S)-2-acetamidopropanethioic acid S-[bis[4-(2-dimethylaminoethyl)phenyl]phosphinomethyl] ester Formula: C26H38N3O2PS MolecularWeight: 487.637581

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)SCP(C1=CC=C(C=C1)CCN(C)C)C2=CC=C(C=C2)CCN(C)C)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C26H38N3O2PS/c1-20(27-21(2)30)26(31)33-19-32(24-11-7-22(8-12-24)15-17-28(3)4)25-13-9-23(10-14-25)16-18-29(5)6/h7-14,20H,15-19H2,1-6H3,(H,27,30)/t20-/m0/s1