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

Systemtic Name: ethyl 3-[(4-methanoylpiperazin-1-yl)carbothioylamino]benzoate Openeye Name: ethyl 3-[(4-formylpiperazine-1-carbothioyl)amino]benzoate CAS Name: 3-[[(4-formyl-1-piperazinyl)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-formylpiperazine-1-carbothioyl)amino]benzoate Traditional Name: 3-[(4-formylpiperazine-1-carbothioyl)amino]benzoic acid ethyl ester Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)C=O

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)C=O

InChI

InChI=1S/C15H19N3O3S/c1-2-21-14(20)12-4-3-5-13(10-12)16-15(22)18-8-6-17(11-19)7-9-18/h3-5,10-11H,2,6-9H2,1H3,(H,16,22)