(2S)-2-(cyclohexylcarbamothioylamino)-3-phenyl-propanoate

Systemtic Name: (2S)-2-(cyclohexylcarbamothioylamino)-3-phenyl-propanoate Openeye Name: (2S)-2-(cyclohexylcarbamothioylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-(cyclohexylcarbamothioylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(cyclohexylthiocarbamoylamino)-3-phenyl-propionate Formula: C16H21N2O2S- MolecularWeight: 305.41514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NC(CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=S)N[C@@H](CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C16H22N2O2S/c19-15(20)14(11-12-7-3-1-4-8-12)18-16(21)17-13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,19,20)(H2,17,18,21)/p-1/t14-/m0/s1