ethyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl-(pyridin-4-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl-(pyridin-4-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[[(E)-3-(2-furyl)prop-2-enoyl]carbamothioyl-(4-pyridylmethyl)amino]benzoate CAS Name: 4-[[[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-(pyridin-4-ylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl-(pyridin-4-ylmethyl)amino]benzoate Traditional Name: 4-[[(E)-3-(2-furyl)acryloyl]thiocarbamoyl-(4-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C23H21N3O4S MolecularWeight: 435.49554

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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=CC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=NC=C2)C(=S)NC(=O)/C=C/C3=CC=CO3

InChI

InChI=1S/C23H21N3O4S/c1-2-29-22(28)18-5-7-19(8-6-18)26(16-17-11-13-24-14-12-17)23(31)25-21(27)10-9-20-4-3-15-30-20/h3-15H,2,16H2,1H3,(H,25,27,31)/b10-9+