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

Systemtic Name: S-[2-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-(3-methylbutyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[[1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl-isopentyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-(3-methylbutyl)amino]ethyl] ester IUPAC Name: S-[2-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-(3-methylbutyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl-isoamyl-amino]ethyl] ester Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CCSC(=O)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC

Isomeric SMILES

CC(C)CCN(CCSC(=O)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC

InChI

InChI=1S/C20H31N3O3S/c1-15(2)10-11-23(12-13-27-16(3)24)20(26)22-18(19(25)21-4)14-17-8-6-5-7-9-17/h5-9,15,18H,10-14H2,1-4H3,(H,21,25)(H,22,26)