S-[2-[(1-azanyl-2-methyl-1-oxidanylidene-hexan-2-yl)carbamoyl-(3-methylbutyl)amino]ethyl] ethanethioate

Systemtic Name: S-[2-[(1-azanyl-2-methyl-1-oxidanylidene-hexan-2-yl)carbamoyl-(3-methylbutyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[(1-carbamoyl-1-methyl-pentyl)carbamoyl-isopentyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[(1-amino-2-methyl-1-oxohexan-2-yl)amino]-oxomethyl]-(3-methylbutyl)amino]ethyl] ester IUPAC Name: S-[2-[(1-amino-2-methyl-1-oxohexan-2-yl)carbamoyl-(3-methylbutyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(1-carbamoyl-1-methyl-pentyl)carbamoyl-isoamyl-amino]ethyl] ester Formula: C17H33N3O3S MolecularWeight: 359.52722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C(=O)N)NC(=O)N(CCC(C)C)CCSC(=O)C

Isomeric SMILES

CCCCC(C)(C(=O)N)NC(=O)N(CCC(C)C)CCSC(=O)C

InChI

InChI=1S/C17H33N3O3S/c1-6-7-9-17(5,15(18)22)19-16(23)20(10-8-13(2)3)11-12-24-14(4)21/h13H,6-12H2,1-5H3,(H2,18,22)(H,19,23)