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

Systemtic Name: S-[2-[[1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-(3-methylbutyl)amino]-3-phenoxy-propyl] ethanethioate Openeye Name: S-[2-[[1-benzyl-2-(dimethylamino)-2-oxo-ethyl]carbamoyl-isopentyl-amino]-3-phenoxy-propyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-(3-methylbutyl)amino]-3-phenoxypropyl] ester IUPAC Name: S-[2-[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-(3-methylbutyl)amino]-3-phenoxypropyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[1-benzyl-2-(dimethylamino)-2-keto-ethyl]carbamoyl-isoamyl-amino]-3-phenoxy-propyl] ester Formula: C28H39N3O4S MolecularWeight: 513.69196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(COC1=CC=CC=C1)CSC(=O)C)C(=O)NC(CC2=CC=CC=C2)C(=O)N(C)C

Isomeric SMILES

CC(C)CCN(C(COC1=CC=CC=C1)CSC(=O)C)C(=O)NC(CC2=CC=CC=C2)C(=O)N(C)C

InChI

InChI=1S/C28H39N3O4S/c1-21(2)16-17-31(24(20-36-22(3)32)19-35-25-14-10-7-11-15-25)28(34)29-26(27(33)30(4)5)18-23-12-8-6-9-13-23/h6-15,21,24,26H,16-20H2,1-5H3,(H,29,34)