methyl 4-[(4-methanoylpiperazin-1-yl)carbothioylamino]benzoate

Systemtic Name: methyl 4-[(4-methanoylpiperazin-1-yl)carbothioylamino]benzoate Openeye Name: methyl 4-[(4-formylpiperazine-1-carbothioyl)amino]benzoate CAS Name: 4-[[(4-formyl-1-piperazinyl)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-formylpiperazine-1-carbothioyl)amino]benzoate Traditional Name: 4-[(4-formylpiperazine-1-carbothioyl)amino]benzoic acid methyl ester Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3S/c1-20-13(19)11-2-4-12(5-3-11)15-14(21)17-8-6-16(10-18)7-9-17/h2-5,10H,6-9H2,1H3,(H,15,21)