ethyl 4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(2-thienylmethyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[sulfanylidene-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(thiophen-2-ylmethyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(2-thenyl)piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C19H23N3O2S2 MolecularWeight: 389.53482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C19H23N3O2S2/c1-2-24-18(23)15-5-7-16(8-6-15)20-19(25)22-11-9-21(10-12-22)14-17-4-3-13-26-17/h3-8,13H,2,9-12,14H2,1H3,(H,20,25)