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

Systemtic Name: methyl 2-[4-[(4-cyclohexylpiperazin-1-yl)carbothioylamino]phenyl]ethanoate Openeye Name: methyl 2-[4-[(4-cyclohexylpiperazine-1-carbothioyl)amino]phenyl]acetate CAS Name: 2-[4-[[(4-cyclohexyl-1-piperazinyl)-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(4-cyclohexylpiperazine-1-carbothioyl)amino]phenyl]acetate Traditional Name: 2-[4-[(4-cyclohexylpiperazine-1-carbothioyl)amino]phenyl]acetic acid methyl ester Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3CCCCC3

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3CCCCC3

InChI

InChI=1S/C20H29N3O2S/c1-25-19(24)15-16-7-9-17(10-8-16)21-20(26)23-13-11-22(12-14-23)18-5-3-2-4-6-18/h7-10,18H,2-6,11-15H2,1H3,(H,21,26)