S-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl] N-[[(2R)-2-methyl-3-oxidanyl-propanoyl]amino]carbamothioate

Systemtic Name: S-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl] N-[[(2R)-2-methyl-3-oxidanyl-propanoyl]amino]carbamothioate Openeye Name: S-[2-(2-ethylanilino)-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-(2-ethylanilino)-2-oxoethyl] ester IUPAC Name: S-[2-(2-ethylanilino)-2-oxoethyl] N-[[(2R)-3-hydroxy-2-methylpropanoyl]amino]carbamothioate Traditional Name: N-[[(2R)-3-hydroxy-2-methyl-propanoyl]amino]thiocarbamic acid S-[2-(2-ethylanilino)-2-keto-ethyl] ester Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CSC(=O)NNC(=O)C(C)CO

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CSC(=O)NNC(=O)[C@H](C)CO

InChI

InChI=1S/C15H21N3O4S/c1-3-11-6-4-5-7-12(11)16-13(20)9-23-15(22)18-17-14(21)10(2)8-19/h4-7,10,19H,3,8-9H2,1-2H3,(H,16,20)(H,17,21)(H,18,22)/t10-/m1/s1