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

Systemtic Name: 4-oxidanylidene-4-[[4-(prop-2-enylcarbamothioylamino)phenyl]amino]butanoate Openeye Name: 4-[4-(allylcarbamothioylamino)anilino]-4-oxo-butanoate CAS Name: 4-oxo-4-[4-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]anilino]butanoate IUPAC Name: 4-oxo-4-[4-(prop-2-enylcarbamothioylamino)anilino]butanoate Traditional Name: 4-[4-(allylthiocarbamoylamino)anilino]-4-keto-butyrate Formula: C14H16N3O3S- MolecularWeight: 306.36014

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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)/p-1