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

Systemtic Name: S-[2-[[1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-(3-methylbutyl)amino]-2-phenyl-ethyl] ethanethioate Openeye Name: S-[2-[[1-benzyl-2-(dimethylamino)-2-oxo-ethyl]carbamoyl-isopentyl-amino]-2-phenyl-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-(3-methylbutyl)amino]-2-phenylethyl] ester IUPAC Name: S-[2-[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-(3-methylbutyl)amino]-2-phenylethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[1-benzyl-2-(dimethylamino)-2-keto-ethyl]carbamoyl-isoamyl-amino]-2-phenyl-ethyl] ester Formula: C27H37N3O3S MolecularWeight: 483.66598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O3S/c1-20(2)16-17-30(25(19-34-21(3)31)23-14-10-7-11-15-23)27(33)28-24(26(32)29(4)5)18-22-12-8-6-9-13-22/h6-15,20,24-25H,16-19H2,1-5H3,(H,28,33)