(2R)-2-(cyclohexylcarbamothioylamino)-3-(1H-indol-3-yl)propanoate

Systemtic Name: (2R)-2-(cyclohexylcarbamothioylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: (2R)-2-(cyclohexylcarbamothioylamino)-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-3-(1H-indol-3-yl)propanoate IUPAC Name: (2R)-2-(cyclohexylcarbamothioylamino)-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-(cyclohexylthiocarbamoylamino)-3-(1H-indol-3-yl)propionate Formula: C18H22N3O2S- MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NC(CC2=CNC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=S)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C18H23N3O2S/c22-17(23)16(21-18(24)20-13-6-2-1-3-7-13)10-12-11-19-15-9-5-4-8-14(12)15/h4-5,8-9,11,13,16,19H,1-3,6-7,10H2,(H,22,23)(H2,20,21,24)/p-1/t16-/m1/s1