ethyl 4-[(4-propan-2-ylphenyl)carbonylcarbamothioyl-(pyridin-3-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[(4-propan-2-ylphenyl)carbonylcarbamothioyl-(pyridin-3-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[(4-isopropylbenzoyl)carbamothioyl-(3-pyridylmethyl)amino]benzoate CAS Name: 4-[[[[oxo-(4-propan-2-ylphenyl)methyl]amino]-sulfanylidenemethyl]-(3-pyridinylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-propan-2-ylbenzoyl)carbamothioyl-(pyridin-3-ylmethyl)amino]benzoate Traditional Name: 4-[cumoylthiocarbamoyl(3-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O3S/c1-4-32-25(31)22-11-13-23(14-12-22)29(17-19-6-5-15-27-16-19)26(33)28-24(30)21-9-7-20(8-10-21)18(2)3/h5-16,18H,4,17H2,1-3H3,(H,28,30,33)