ethyl 4-[(4-methylsulfonylpiperazin-1-yl)carbothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-methylsulfonylpiperazin-1-yl)carbothioylamino]benzoate Openeye Name: ethyl 4-[(4-methylsulfonylpiperazine-1-carbothioyl)amino]benzoate CAS Name: 4-[[(4-methylsulfonyl-1-piperazinyl)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-methylsulfonylpiperazine-1-carbothioyl)amino]benzoate Traditional Name: 4-[(4-mesylpiperazine-1-carbothioyl)amino]benzoic acid ethyl ester Formula: C15H21N3O4S2 MolecularWeight: 371.47494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O4S2/c1-3-22-14(19)12-4-6-13(7-5-12)16-15(23)17-8-10-18(11-9-17)24(2,20)21/h4-7H,3,8-11H2,1-2H3,(H,16,23)