S-[2-[[1-(methylamino)-1-oxidanylidene-4-phenyl-butan-2-yl]carbamoyl-(3-methylbutyl)amino]ethyl] ethanethioate

Systemtic Name: S-[2-[[1-(methylamino)-1-oxidanylidene-4-phenyl-butan-2-yl]carbamoyl-(3-methylbutyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[isopentyl-[[1-(methylcarbamoyl)-3-phenyl-propyl]carbamoyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[1-(methylamino)-1-oxo-4-phenylbutan-2-yl]amino]-oxomethyl]-(3-methylbutyl)amino]ethyl] ester IUPAC Name: S-[2-[[1-(methylamino)-1-oxo-4-phenylbutan-2-yl]carbamoyl-(3-methylbutyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[isoamyl-[[1-(methylcarbamoyl)-3-phenyl-propyl]carbamoyl]amino]ethyl] ester Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CCSC(=O)C)C(=O)NC(CCC1=CC=CC=C1)C(=O)NC

Isomeric SMILES

CC(C)CCN(CCSC(=O)C)C(=O)NC(CCC1=CC=CC=C1)C(=O)NC

InChI

InChI=1S/C21H33N3O3S/c1-16(2)12-13-24(14-15-28-17(3)25)21(27)23-19(20(26)22-4)11-10-18-8-6-5-7-9-18/h5-9,16,19H,10-15H2,1-4H3,(H,22,26)(H,23,27)