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

Systemtic Name: S-[bis[4-(2-dimethylaminoethyl)phenyl]phosphanylmethyl] 2-acetamidoethanethioate Openeye Name: S-[bis[4-(2-dimethylaminoethyl)phenyl]phosphanylmethyl] 2-acetamidoethanethioate CAS Name: 2-acetamidoethanethioic acid S-[bis[4-(2-dimethylaminoethyl)phenyl]phosphinomethyl] ester IUPAC Name: S-[bis[4-(2-dimethylaminoethyl)phenyl]phosphanylmethyl] 2-acetamidoethanethioate Traditional Name: 2-acetamidoethanethioic acid S-[bis[4-(2-dimethylaminoethyl)phenyl]phosphinomethyl] ester Formula: C25H36N3O2PS MolecularWeight: 473.611001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N3O2PS/c1-20(29)26-18-25(30)32-19-31(23-10-6-21(7-11-23)14-16-27(2)3)24-12-8-22(9-13-24)15-17-28(4)5/h6-13H,14-19H2,1-5H3,(H,26,29)