methyl 4-[[4-(2-thiophen-2-ylethyl)piperazin-1-yl]carbothioylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CCC3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CCC3=CC=CS3

InChI

InChI=1S/C19H23N3O2S2/c1-24-18(23)15-4-6-16(7-5-15)20-19(25)22-12-10-21(11-13-22)9-8-17-3-2-14-26-17/h2-7,14H,8-13H2,1H3,(H,20,25)