3-[(4-pentan-2-yloxyphenyl)carbamothioylamino]propanoic acid

Systemtic Name: 3-[(4-pentan-2-yloxyphenyl)carbamothioylamino]propanoic acid Openeye Name: 3-[[4-(1-methylbutoxy)phenyl]carbamothioylamino]propanoic acid CAS Name: 3-[[(4-pentan-2-yloxyanilino)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-[(4-pentan-2-yloxyphenyl)carbamothioylamino]propanoic acid Traditional Name: 3-[[4-(1-methylbutoxy)phenyl]thiocarbamoylamino]propionic acid Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OC1=CC=C(C=C1)NC(=S)NCCC(=O)O

Isomeric SMILES

CCCC(C)OC1=CC=C(C=C1)NC(=S)NCCC(=O)O

InChI

InChI=1S/C15H22N2O3S/c1-3-4-11(2)20-13-7-5-12(6-8-13)17-15(21)16-10-9-14(18)19/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,19)(H2,16,17,21)