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

Systemtic Name: S-[2-[[[1-(dimethylamino)-3-phenyl-propan-2-yl]-phenethyl-carbamoyl]amino]-3-phenyl-propyl] ethanethioate Openeye Name: S-[2-[[[1-benzyl-2-(dimethylamino)ethyl]-phenethyl-carbamoyl]amino]-3-phenyl-propyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[1-(dimethylamino)-3-phenylpropan-2-yl]-phenethylamino]-oxomethyl]amino]-3-phenylpropyl] ester IUPAC Name: S-[2-[[[1-(dimethylamino)-3-phenylpropan-2-yl]-phenethylcarbamoyl]amino]-3-phenylpropyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[[1-benzyl-2-(dimethylamino)ethyl]-phenethyl-carbamoyl]amino]-3-phenyl-propyl] ester Formula: C31H39N3O2S MolecularWeight: 517.72526

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)NC(=O)N(CCC2=CC=CC=C2)C(CC3=CC=CC=C3)CN(C)C

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)NC(=O)N(CCC2=CC=CC=C2)C(CC3=CC=CC=C3)CN(C)C

InChI

InChI=1S/C31H39N3O2S/c1-25(35)37-24-29(21-27-15-9-5-10-16-27)32-31(36)34(20-19-26-13-7-4-8-14-26)30(23-33(2)3)22-28-17-11-6-12-18-28/h4-18,29-30H,19-24H2,1-3H3,(H,32,36)