[4-[(E)-[[(E)-2-benzamido-3-thiophen-2-yl-prop-2-enoyl]hydrazinylidene]methyl]phenyl] 3-bromanylbenzoate

Systemtic Name: [4-[(E)-[[(E)-2-benzamido-3-thiophen-2-yl-prop-2-enoyl]hydrazinylidene]methyl]phenyl] 3-bromanylbenzoate Openeye Name: [4-[(E)-[[(E)-2-benzamido-3-(2-thienyl)prop-2-enoyl]hydrazono]methyl]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[(E)-[[(E)-2-benzamido-1-oxo-3-thiophen-2-ylprop-2-enyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[(E)-[[(E)-2-benzamido-3-(2-thienyl)acryloyl]hydrazono]methyl]phenyl] ester Formula: C28H20BrN3O4S MolecularWeight: 574.4451

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CS2)C(=O)NN=CC3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CS2)/C(=O)N/N=C/C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C28H20BrN3O4S/c29-22-9-4-8-21(16-22)28(35)36-23-13-11-19(12-14-23)18-30-32-27(34)25(17-24-10-5-15-37-24)31-26(33)20-6-2-1-3-7-20/h1-18H,(H,31,33)(H,32,34)/b25-17+,30-18+