ethyl 4-[(3-oxidanylidenepiperazin-1-yl)carbothioylamino]benzoate

Systemtic Name: ethyl 4-[(3-oxidanylidenepiperazin-1-yl)carbothioylamino]benzoate Openeye Name: ethyl 4-[(3-oxopiperazine-1-carbothioyl)amino]benzoate CAS Name: 4-[[(3-oxo-1-piperazinyl)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-oxopiperazine-1-carbothioyl)amino]benzoate Traditional Name: 4-[(3-ketopiperazine-1-carbothioyl)amino]benzoic acid ethyl ester Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCNC(=O)C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCNC(=O)C2

InChI

InChI=1S/C14H17N3O3S/c1-2-20-13(19)10-3-5-11(6-4-10)16-14(21)17-8-7-15-12(18)9-17/h3-6H,2,7-9H2,1H3,(H,15,18)(H,16,21)