(E)-4-oxidanylidene-4-[[3-(prop-2-enylcarbamothioylamino)phenyl]amino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[[3-(prop-2-enylcarbamothioylamino)phenyl]amino]but-2-enoic acid Openeye Name: (E)-4-[3-(allylcarbamothioylamino)anilino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-oxo-4-[3-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]anilino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[3-(prop-2-enylcarbamothioylamino)anilino]but-2-enoic acid Traditional Name: (E)-4-[3-(allylthiocarbamoylamino)anilino]-4-keto-but-2-enoic acid Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O3S/c1-2-8-15-14(21)17-11-5-3-4-10(9-11)16-12(18)6-7-13(19)20/h2-7,9H,1,8H2,(H,16,18)(H,19,20)(H2,15,17,21)/b7-6+