methyl 2-[4-[(4-methylpiperazin-1-yl)carbothioylamino]phenyl]ethanoate

Systemtic Name: methyl 2-[4-[(4-methylpiperazin-1-yl)carbothioylamino]phenyl]ethanoate Openeye Name: methyl 2-[4-[(4-methylpiperazine-1-carbothioyl)amino]phenyl]acetate CAS Name: 2-[4-[[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(4-methylpiperazine-1-carbothioyl)amino]phenyl]acetate Traditional Name: 2-[4-[(4-methylpiperazine-1-carbothioyl)amino]phenyl]acetic acid methyl ester Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)NC2=CC=C(C=C2)CC(=O)OC

Isomeric SMILES

CN1CCN(CC1)C(=S)NC2=CC=C(C=C2)CC(=O)OC

InChI

InChI=1S/C15H21N3O2S/c1-17-7-9-18(10-8-17)15(21)16-13-5-3-12(4-6-13)11-14(19)20-2/h3-6H,7-11H2,1-2H3,(H,16,21)