S-[2-[[1-(dimethylamino)-3-phenyl-propan-2-yl]carbamoyl-phenethyl-amino]ethyl] ethanethioate

Systemtic Name: S-[2-[[1-(dimethylamino)-3-phenyl-propan-2-yl]carbamoyl-phenethyl-amino]ethyl] ethanethioate Openeye Name: S-[2-[[1-benzyl-2-(dimethylamino)ethyl]carbamoyl-phenethyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[1-(dimethylamino)-3-phenylpropan-2-yl]amino]-oxomethyl]-phenethylamino]ethyl] ester IUPAC Name: S-[2-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoyl-phenethylamino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[1-benzyl-2-(dimethylamino)ethyl]carbamoyl-phenethyl-amino]ethyl] ester Formula: C24H33N3O2S MolecularWeight: 427.60272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)CN(C)C

Isomeric SMILES

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)CN(C)C

InChI

InChI=1S/C24H33N3O2S/c1-20(28)30-17-16-27(15-14-21-10-6-4-7-11-21)24(29)25-23(19-26(2)3)18-22-12-8-5-9-13-22/h4-13,23H,14-19H2,1-3H3,(H,25,29)