4-oxidanylidene-4-[[4-(prop-2-enylcarbamothioylamino)phenyl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[4-(prop-2-enylcarbamothioylamino)phenyl]amino]butanoic acid Openeye Name: 4-[4-(allylcarbamothioylamino)anilino]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[4-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]anilino]butanoic acid IUPAC Name: 4-oxo-4-[4-(prop-2-enylcarbamothioylamino)anilino]butanoic acid Traditional Name: 4-[4-(allylthiocarbamoylamino)anilino]-4-keto-butyric acid Formula: C14H17N3O3S MolecularWeight: 307.36808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NC1=CC=C(C=C1)NC(=O)CCC(=O)O

Isomeric SMILES

C=CCNC(=S)NC1=CC=C(C=C1)NC(=O)CCC(=O)O

InChI

InChI=1S/C14H17N3O3S/c1-2-9-15-14(21)17-11-5-3-10(4-6-11)16-12(18)7-8-13(19)20/h2-6H,1,7-9H2,(H,16,18)(H,19,20)(H2,15,17,21)