sodium (E)-3-[[3-(diethylcarbamothioylamino)phenyl]methylamino]-2-methanoyl-3-oxidanylidene-prop-1-en-1-olate

Systemtic Name: sodium (E)-3-[[3-(diethylcarbamothioylamino)phenyl]methylamino]-2-methanoyl-3-oxidanylidene-prop-1-en-1-olate Openeye Name: sodium (E)-3-[[3-(diethylcarbamothioylamino)phenyl]methylamino]-2-formyl-3-oxo-prop-1-en-1-olate CAS Name: sodium (E)-3-[[3-[[diethylamino(sulfanylidene)methyl]amino]phenyl]methylamino]-2-formyl-3-oxo-1-propen-1-olate IUPAC Name: sodium (E)-3-[[3-(diethylcarbamothioylamino)phenyl]methylamino]-2-formyl-3-oxoprop-1-en-1-olate Traditional Name: sodium (E)-3-[[3-(diethylthiocarbamoylamino)benzyl]amino]-2-formyl-3-keto-prop-1-en-1-olate Formula: C16H20N3NaO3S MolecularWeight: 357.40307

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)NC1=CC=CC(=C1)CNC(=O)C(=C[O-])C=O.[Na+]

Isomeric SMILES

CCN(CC)C(=S)NC1=CC=CC(=C1)CNC(=O)/C(=C/[O-])/C=O.[Na+]

InChI

InChI=1S/C16H21N3O3S.Na/c1-3-19(4-2)16(23)18-14-7-5-6-12(8-14)9-17-15(22)13(10-20)11-21;/h5-8,10-11,20H,3-4,9H2,1-2H3,(H,17,22)(H,18,23);/q;+1/p-1/b13-10+;