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

Systemtic Name: S-[3-[[1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-(3-methylbutyl)amino]propyl] ethanethioate Openeye Name: S-[3-[[1-benzyl-2-(dimethylamino)-2-oxo-ethyl]carbamoyl-isopentyl-amino]propyl] ethanethioate CAS Name: ethanethioic acid S-[3-[[[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-(3-methylbutyl)amino]propyl] ester IUPAC Name: S-[3-[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-(3-methylbutyl)amino]propyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[[1-benzyl-2-(dimethylamino)-2-keto-ethyl]carbamoyl-isoamyl-amino]propyl] ester Formula: C22H35N3O3S MolecularWeight: 421.5966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CCCSC(=O)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C)C

Isomeric SMILES

CC(C)CCN(CCCSC(=O)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C)C

InChI

InChI=1S/C22H35N3O3S/c1-17(2)12-14-25(13-9-15-29-18(3)26)22(28)23-20(21(27)24(4)5)16-19-10-7-6-8-11-19/h6-8,10-11,17,20H,9,12-16H2,1-5H3,(H,23,28)