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

Systemtic Name: ethyl 4-[(4-propoxyphenyl)carbonylcarbamothioyl-(pyridin-3-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[(4-propoxybenzoyl)carbamothioyl-(3-pyridylmethyl)amino]benzoate CAS Name: 4-[[[[oxo-(4-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]-(3-pyridinylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-propoxybenzoyl)carbamothioyl-(pyridin-3-ylmethyl)amino]benzoate Traditional Name: 4-[(4-propoxybenzoyl)thiocarbamoyl-(3-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)N(CC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)N(CC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C26H27N3O4S/c1-3-16-33-23-13-9-20(10-14-23)24(30)28-26(34)29(18-19-6-5-15-27-17-19)22-11-7-21(8-12-22)25(31)32-4-2/h5-15,17H,3-4,16,18H2,1-2H3,(H,28,30,34)