4-oxidanylidene-4-[2-(phenylcarbamothioylamino)ethylamino]but-2-enoic acid

Systemtic Name: 4-oxidanylidene-4-[2-(phenylcarbamothioylamino)ethylamino]but-2-enoic acid Openeye Name: 4-oxo-4-[2-(phenylcarbamothioylamino)ethylamino]but-2-enoic acid CAS Name: 4-[2-[[anilino(sulfanylidene)methyl]amino]ethylamino]-4-oxo-2-butenoic acid IUPAC Name: 4-oxo-4-[2-(phenylcarbamothioylamino)ethylamino]but-2-enoic acid Traditional Name: 4-keto-4-[2-(phenylthiocarbamoylamino)ethylamino]but-2-enoic acid Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NCCNC(=O)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NCCNC(=O)C=CC(=O)O

InChI

InChI=1S/C13H15N3O3S/c17-11(6-7-12(18)19)14-8-9-15-13(20)16-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,14,17)(H,18,19)(H2,15,16,20)