ethyl 4-[[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(2-keto-2-pyrrolidino-ethyl)piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C20H28N4O3S/c1-2-27-19(26)16-5-7-17(8-6-16)21-20(28)24-13-11-22(12-14-24)15-18(25)23-9-3-4-10-23/h5-8H,2-4,9-15H2,1H3,(H,21,28)