3-[ethyl-[(2-ethyl-6-propan-2-yl-phenyl)carbamothioyl]amino]propanoic acid

Systemtic Name: 3-[ethyl-[(2-ethyl-6-propan-2-yl-phenyl)carbamothioyl]amino]propanoic acid Openeye Name: 3-[ethyl-[(2-ethyl-6-isopropyl-phenyl)carbamothioyl]amino]propanoic acid CAS Name: 3-[ethyl-[(2-ethyl-6-propan-2-ylanilino)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-[ethyl-[(2-ethyl-6-propan-2-ylphenyl)carbamothioyl]amino]propanoic acid Traditional Name: 3-[ethyl-[(2-ethyl-6-isopropyl-phenyl)thiocarbamoyl]amino]propionic acid Formula: C17H26N2O2S MolecularWeight: 322.46554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)C(C)C)NC(=S)N(CC)CCC(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)C(C)C)NC(=S)N(CC)CCC(=O)O

InChI

InChI=1S/C17H26N2O2S/c1-5-13-8-7-9-14(12(3)4)16(13)18-17(22)19(6-2)11-10-15(20)21/h7-9,12H,5-6,10-11H2,1-4H3,(H,18,22)(H,20,21)