2-[3-(carbamothioylamino)-2-ethyl-1-(phenylmethyl)indol-4-yl]oxyethanoic acid

Systemtic Name: 2-[3-(carbamothioylamino)-2-ethyl-1-(phenylmethyl)indol-4-yl]oxyethanoic acid Openeye Name: 2-[1-benzyl-3-(carbamothioylamino)-2-ethyl-indol-4-yl]oxyacetic acid CAS Name: 2-[[3-(carbamothioylamino)-2-ethyl-1-(phenylmethyl)-4-indolyl]oxy]acetic acid IUPAC Name: 2-[1-benzyl-3-(carbamothioylamino)-2-ethylindol-4-yl]oxyacetic acid Traditional Name: 2-(1-benzyl-2-ethyl-3-thioureido-indol-4-yl)oxyacetic acid Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)O)NC(=S)N

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)O)NC(=S)N

InChI

InChI=1S/C20H21N3O3S/c1-2-14-19(22-20(21)27)18-15(9-6-10-16(18)26-12-17(24)25)23(14)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,24,25)(H3,21,22,27)