S-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] N-[[(2R)-2-methyl-3-oxidanyl-propanoyl]amino]carbamothioate

Systemtic Name: S-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] N-[[(2R)-2-methyl-3-oxidanyl-propanoyl]amino]carbamothioate Openeye Name: S-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl] N-[[(2R)-3-hydroxy-2-methyl-propanoyl]amino]carbamothioate CAS Name: N-[[(2R)-3-hydroxy-2-methyl-1-oxopropyl]amino]carbamothioic acid S-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] ester IUPAC Name: S-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] N-[[(2R)-3-hydroxy-2-methylpropanoyl]amino]carbamothioate Traditional Name: N-[[(2R)-3-hydroxy-2-methyl-propanoyl]amino]thiocarbamic acid S-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl] ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C(=O)NNC(=O)SCC(=O)N1CCCC2=CC=CC=C21

Isomeric SMILES

C[C@H](CO)C(=O)NNC(=O)SCC(=O)N1CCCC2=CC=CC=C21

InChI

InChI=1S/C16H21N3O4S/c1-11(9-20)15(22)17-18-16(23)24-10-14(21)19-8-4-6-12-5-2-3-7-13(12)19/h2-3,5,7,11,20H,4,6,8-10H2,1H3,(H,17,22)(H,18,23)/t11-/m1/s1