2-(cyclohexylcarbamothioylamino)-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-(cyclohexylcarbamothioylamino)-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-(cyclohexylcarbamothioylamino)-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-(cyclohexylcarbamothioylamino)-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-(cyclohexylthiocarbamoylamino)-3-(1H-indol-3-yl)propionic acid Formula: C18H23N3O2S MolecularWeight: 345.45912

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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)NC(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)