ethyl 4-[2-methylpropanoylcarbamothioyl(pyridin-4-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[2-methylpropanoylcarbamothioyl(pyridin-4-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[2-methylpropanoylcarbamothioyl(4-pyridylmethyl)amino]benzoate CAS Name: 4-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]-(pyridin-4-ylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-methylpropanoylcarbamothioyl(pyridin-4-ylmethyl)amino]benzoate Traditional Name: 4-[isobutyrylthiocarbamoyl(4-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=NC=C2)C(=S)NC(=O)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=NC=C2)C(=S)NC(=O)C(C)C

InChI

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