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

Systemtic Name: S-[2-[[1-(2-dimethylaminoethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-phenethyl-amino]ethyl] ethanethioate Openeye Name: S-[2-[[1-benzyl-2-(2-dimethylaminoethylamino)-2-oxo-ethyl]carbamoyl-phenethyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[1-(2-dimethylaminoethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-phenethylamino]ethyl] ester IUPAC Name: S-[2-[[1-(2-dimethylaminoethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-phenethylamino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[1-benzyl-2-(2-dimethylaminoethylamino)-2-keto-ethyl]carbamoyl-phenethyl-amino]ethyl] ester Formula: C26H36N4O3S MolecularWeight: 484.65404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N4O3S/c1-21(31)34-19-18-30(16-14-22-10-6-4-7-11-22)26(33)28-24(20-23-12-8-5-9-13-23)25(32)27-15-17-29(2)3/h4-13,24H,14-20H2,1-3H3,(H,27,32)(H,28,33)