2-[4-(cyclopentylcarbamothioylamino)phenyl]ethanoic acid

Systemtic Name: 2-[4-(cyclopentylcarbamothioylamino)phenyl]ethanoic acid Openeye Name: 2-[4-(cyclopentylcarbamothioylamino)phenyl]acetic acid CAS Name: 2-[4-[[(cyclopentylamino)-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-(cyclopentylcarbamothioylamino)phenyl]acetic acid Traditional Name: 2-[4-(cyclopentylthiocarbamoylamino)phenyl]acetic acid Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=S)NC2=CC=C(C=C2)CC(=O)O

Isomeric SMILES

C1CCC(C1)NC(=S)NC2=CC=C(C=C2)CC(=O)O

InChI

InChI=1S/C14H18N2O2S/c17-13(18)9-10-5-7-12(8-6-10)16-14(19)15-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,17,18)(H2,15,16,19)