ethyl 4-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(m-tolylmethyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-[(3-methylphenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(3-methylphenyl)methyl]piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(3-methylbenzyl)piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=CC(=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=CC(=C3)C

InChI

InChI=1S/C22H27N3O2S/c1-3-27-21(26)19-7-9-20(10-8-19)23-22(28)25-13-11-24(12-14-25)16-18-6-4-5-17(2)15-18/h4-10,15H,3,11-14,16H2,1-2H3,(H,23,28)