ethyl 4-[butanoylcarbamothioyl(pyridin-3-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[butanoylcarbamothioyl(pyridin-3-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[butanoylcarbamothioyl(3-pyridylmethyl)amino]benzoate CAS Name: 4-[[(1-oxobutylamino)-sulfanylidenemethyl]-(3-pyridinylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[butanoylcarbamothioyl(pyridin-3-ylmethyl)amino]benzoate Traditional Name: 4-[butyrylthiocarbamoyl(3-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)N(CC1=CN=CC=C1)C2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCC(=O)NC(=S)N(CC1=CN=CC=C1)C2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C20H23N3O3S/c1-3-6-18(24)22-20(27)23(14-15-7-5-12-21-13-15)17-10-8-16(9-11-17)19(25)26-4-2/h5,7-13H,3-4,6,14H2,1-2H3,(H,22,24,27)