ethyl 4-[[1-(5-nitropyridin-2-yl)piperidin-4-yl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[1-(5-nitropyridin-2-yl)piperidin-4-yl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[1-(5-nitro-2-pyridyl)-4-piperidyl]carbamothioylamino]benzoate CAS Name: 4-[[[[1-(5-nitro-2-pyridinyl)-4-piperidinyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(5-nitropyridin-2-yl)piperidin-4-yl]carbamothioylamino]benzoate Traditional Name: 4-[[1-(5-nitro-2-pyridyl)-4-piperidyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O4S/c1-2-29-19(26)14-3-5-15(6-4-14)22-20(30)23-16-9-11-24(12-10-16)18-8-7-17(13-21-18)25(27)28/h3-8,13,16H,2,9-12H2,1H3,(H2,22,23,30)